70680595 -OEChem-04252400432D 111116 0 1 0 0 0 0 0999 V2000 9.2833 0.2001 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5412 -1.7885 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.5812 3.9519 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.2936 -2.5975 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.8759 -3.3020 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.2772 -2.2839 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.2952 -3.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4325 -0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 -0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5357 -1.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5467 -1.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3733 2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6956 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8634 0.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 4.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7058 -1.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 -0.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4367 -2.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0924 0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6457 -0.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 -4.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 4.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 4.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3556 1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 3.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8814 -3.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1026 -2.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4846 -3.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -4.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 4.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8704 -3.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9804 -4.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7714 -2.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6839 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1907 -2.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3636 -1.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 -3.2249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 1.4548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 2.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -4.7249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4895 2.9548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.6136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4644 -1.5224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9644 -2.3885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4862 -1.7303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3817 -2.7249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1235 -1.0840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8145 -0.1330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1235 -1.0840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4223 2.6647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1132 1.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6235 0.4548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6132 3.2525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8042 2.6647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9589 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7113 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 -4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4895 1.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 1.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -4.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 3.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0835 -1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1866 -2.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 -3.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5112 -0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7175 0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7359 -0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 3.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0711 0.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 3.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7072 3.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -3.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5162 -2.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 0.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1541 -2.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8822 -2.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 -1.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4027 -0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 4.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2206 1.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 4.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -5.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -2.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 -0.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9383 -3.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0265 3.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2206 3.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 2.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 4.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3284 5.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1882 3.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0378 -1.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5468 -4.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3005 -1.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2555 -3.3073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 1 21 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 2 22 2 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 28 2 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 2 0 0 0 0 5 29 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 2 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 2 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 53 1 0 0 0 0 8 56 1 0 0 0 0 9 55 1 0 0 0 0 9 58 1 0 0 0 0 47 10 1 6 0 0 0 51 11 1 1 0 0 0 12 59 1 0 0 0 0 49 13 1 6 0 0 0 13 92 1 0 0 0 0 54 14 1 6 0 0 0 15 60 1 0 0 0 0 52 16 1 1 0 0 0 16 93 1 0 0 0 0 57 17 1 6 0 0 0 17 94 1 0 0 0 0 18 61 1 0 0 0 0 19100 1 0 0 0 0 20101 1 0 0 0 0 23 62 2 0 0 0 0 24106 1 0 0 0 0 25107 1 0 0 0 0 26 64 2 0 0 0 0 27 66 2 0 0 0 0 30108 1 0 0 0 0 32 71 2 0 0 0 0 33 72 2 0 0 0 0 34 73 2 0 0 0 0 36109 1 0 0 0 0 38110 1 0 0 0 0 39111 1 0 0 0 0 50 41 1 1 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 56 42 1 6 0 0 0 42 64 1 0 0 0 0 42 65 1 0 0 0 0 58 43 1 1 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 62 1 0 0 0 0 44 71 1 0 0 0 0 44 98 1 0 0 0 0 45 64 1 0 0 0 0 45 72 1 0 0 0 0 45102 1 0 0 0 0 46 66 1 0 0 0 0 46 73 1 0 0 0 0 46104 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 74 1 0 0 0 0 48 59 1 1 0 0 0 48 75 1 0 0 0 0 49 50 1 0 0 0 0 49 76 1 0 0 0 0 50 77 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 78 1 0 0 0 0 52 56 1 0 0 0 0 52 79 1 0 0 0 0 53 61 1 6 0 0 0 53 80 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 0 0 0 0 54 81 1 0 0 0 0 55 60 1 1 0 0 0 55 82 1 0 0 0 0 56 83 1 0 0 0 0 57 58 1 0 0 0 0 57 84 1 0 0 0 0 58 85 1 0 0 0 0 59 86 1 0 0 0 0 59 87 1 0 0 0 0 60 88 1 0 0 0 0 60 89 1 0 0 0 0 61 90 1 0 0 0 0 61 91 1 0 0 0 0 63 68 2 0 0 0 0 63 95 1 0 0 0 0 65 69 2 0 0 0 0 65 96 1 0 0 0 0 67 70 2 0 0 0 0 67 97 1 0 0 0 0 68 71 1 0 0 0 0 68 99 1 0 0 0 0 69 72 1 0 0 0 0 69103 1 0 0 0 0 70 73 1 0 0 0 0 70105 1 0 0 0 0 M END > 70680595 > 1 > 2610 > 34 > 14 > 22 > AAADcfB7vgOAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > InChI=1S/C27H38N6O34P6/c34-13-1-4-31(25(40)28-13)22-16(37)19(63-68(43,44)45)10(60-22)7-57-70(49,50)64-20-11(61-23(17(20)38)32-5-2-14(35)29-26(32)41)8-58-71(51,52)65-21-12(9-59-72(53,54)67-73(55,56)66-69(46,47)48)62-24(18(21)39)33-6-3-15(36)30-27(33)42/h1-6,10-12,16-24,37-39H,7-9H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,28,34,40)(H,29,35,41)(H,30,36,42)(H2,43,44,45)(H2,46,47,48)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > VPSXUNFYKJNLCS-GDDMVZOWSA-N > -13.1 > 1175.9854643 > C27H38N6O34P6 > 1176.5 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)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)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)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)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O > 575 > 1175.9854643 > 0 > 73 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 47 10 6 51 11 5 49 13 6 54 14 6 52 16 5 57 17 6 50 41 5 41 62 8 41 63 8 56 42 6 42 64 8 42 65 8 58 43 5 43 66 8 43 67 8 44 62 8 44 71 8 45 64 8 45 72 8 46 66 8 46 73 8 48 59 5 53 61 6 55 60 5 63 68 8 65 69 8 67 70 8 68 71 8 69 72 8 70 73 8 $$$$