42609689 -OEChem-04162400092D 122129 0 1 0 0 0 0 0999 V2000 3.5617 0.7861 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.4598 -1.6978 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.9129 0.9952 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0518 3.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -2.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 -1.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 3.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -3.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9733 0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -4.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4108 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 0.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 -1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 1.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 -0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1507 -2.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 2.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 5.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -4.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0778 -2.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 8.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -7.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8678 -4.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 5.0475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -4.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9439 -0.5457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4666 -5.0541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 6.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -5.7245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -2.0457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0489 -5.7585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 -2.0457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2299 -7.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 2.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7656 -2.0579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7428 2.5087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7874 -1.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4338 3.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8701 -3.0524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2428 4.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9565 -3.4592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3807 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4952 0.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9952 1.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1643 -0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0778 -0.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5698 -3.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3788 -2.7062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1878 -3.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8788 -4.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6187 -2.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5884 2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 5.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 5.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -4.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 -5.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -6.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -0.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9439 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 7.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -6.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0598 -5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4611 -4.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6759 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6476 -6.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6759 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6422 -6.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 2.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 -2.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 2.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -1.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 4.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -3.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 4.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4384 -3.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 1.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 1.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 0.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 1.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -0.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4743 -0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5978 0.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1314 -3.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8264 -2.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -3.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4978 -2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5973 -4.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 3.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -4.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9991 -3.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -3.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 2.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 5.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 -4.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 0.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 -1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 6.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 6.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 -6.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 0.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3752 -0.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 -6.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6571 2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 3.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2129 -0.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3955 -7.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 -1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 -2.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9778 -8.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8465 -7.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 3 23 2 0 0 0 0 4 42 1 0 0 0 0 4 46 1 0 0 0 0 5 43 1 0 0 0 0 5 47 1 0 0 0 0 40 6 1 1 0 0 0 41 7 1 1 0 0 0 8 48 1 0 0 0 0 44 9 1 1 0 0 0 9 98 1 0 0 0 0 45 10 1 1 0 0 0 10 99 1 0 0 0 0 11 51 1 0 0 0 0 11 53 1 0 0 0 0 12 49 1 0 0 0 0 50 13 1 6 0 0 0 14 54 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 16106 1 0 0 0 0 55 17 1 1 0 0 0 17107 1 0 0 0 0 19113 1 0 0 0 0 20115 1 0 0 0 0 22 59 1 0 0 0 0 22116 1 0 0 0 0 24 60 2 0 0 0 0 25 62 2 0 0 0 0 26 67 2 0 0 0 0 27 68 2 0 0 0 0 28 69 2 0 0 0 0 29 71 2 0 0 0 0 46 30 1 6 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 47 31 1 6 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 53 32 1 1 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 57 33 1 6 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 60 1 0 0 0 0 34 68 1 0 0 0 0 34108 1 0 0 0 0 35 62 1 0 0 0 0 35 69 1 0 0 0 0 35110 1 0 0 0 0 36 67 1 0 0 0 0 36 74 2 0 0 0 0 37 71 1 0 0 0 0 37 75 2 0 0 0 0 38 74 1 0 0 0 0 38119 1 0 0 0 0 38120 1 0 0 0 0 39 75 1 0 0 0 0 39121 1 0 0 0 0 39122 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 40 76 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 41 77 1 0 0 0 0 42 49 1 6 0 0 0 42 78 1 0 0 0 0 43 48 1 6 0 0 0 43 79 1 0 0 0 0 44 46 1 0 0 0 0 44 80 1 0 0 0 0 45 47 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 47 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 88 1 0 0 0 0 51 59 1 1 0 0 0 51 89 1 0 0 0 0 52 53 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 53 92 1 0 0 0 0 54 55 1 0 0 0 0 54 58 1 6 0 0 0 54 93 1 0 0 0 0 55 56 1 0 0 0 0 55 94 1 0 0 0 0 56 57 1 0 0 0 0 56 95 1 0 0 0 0 56 96 1 0 0 0 0 57 97 1 0 0 0 0 58100 1 0 0 0 0 58101 1 0 0 0 0 59102 1 0 0 0 0 59103 1 0 0 0 0 61 64 2 0 0 0 0 61104 1 0 0 0 0 63 65 2 0 0 0 0 63105 1 0 0 0 0 64 68 1 0 0 0 0 64109 1 0 0 0 0 65 69 1 0 0 0 0 65111 1 0 0 0 0 66 72 2 0 0 0 0 66112 1 0 0 0 0 70 73 2 0 0 0 0 70114 1 0 0 0 0 72 74 1 0 0 0 0 72117 1 0 0 0 0 73 75 1 0 0 0 0 73118 1 0 0 0 0 M END > 42609689 > 1 > 2640 > 26 > 11 > 20 > AAADcfB//gMAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C36H47N10O26P3/c37-21-1-5-43(33(53)39-21)25-9-15(48)18(67-25)12-63-74(59,60)71-30-20(69-32(28(30)52)46-8-4-24(50)42-36(46)56)14-65-75(61,62)72-29-19(68-31(27(29)51)45-7-3-23(49)41-35(45)55)13-64-73(57,58)70-16-10-26(66-17(16)11-47)44-6-2-22(38)40-34(44)54/h1-8,15-20,25-32,47-48,51-52H,9-14H2,(H,57,58)(H,59,60)(H,61,62)(H2,37,39,53)(H2,38,40,54)(H,41,49,55)(H,42,50,56)/t15-,16-,17+,18+,19+,20+,25+,26+,27+,28+,29+,30+,31+,32+/m0/s1 > PSVBQVOVMDMDKW-KFJBOGONSA-N > -10.4 > 1128.18758264 > C36H47N10O26P3 > 1128.7 > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7CC(OC7CO)N8C=CC(=NC8=O)N)O > C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7CO)N8C=CC(=NC8=O)N)O > 501 > 1128.18758264 > 0 > 75 > 14 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 45 10 5 50 13 6 55 17 5 46 30 6 30 60 8 30 61 8 47 31 6 31 62 8 31 63 8 53 32 5 32 66 8 32 67 8 57 33 6 33 70 8 33 71 8 34 60 8 34 68 8 35 62 8 35 69 8 36 67 8 36 74 8 37 71 8 37 75 8 42 49 6 43 48 6 51 59 5 54 58 6 40 6 5 61 64 8 63 65 8 64 68 8 65 69 8 66 72 8 41 7 5 70 73 8 72 74 8 73 75 8 44 9 5 $$$$