42627757 -OEChem-04202400202D 94 99 0 1 0 0 0 0 0999 V2000 6.8909 -0.1924 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.5398 -0.4014 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7475 2.6053 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 5.0298 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9514 -0.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -3.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -2.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 -4.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -5.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 -0.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4533 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0559 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5200 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3353 3.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3122 -6.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 2.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -1.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -4.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -3.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -6.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.3211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 1.3211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 2.2722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 2.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4732 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1424 -1.6400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9732 -0.0308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0559 -1.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7655 -3.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2655 -3.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3086 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -4.6467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8481 -4.2400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5665 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9219 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6540 -2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -4.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5435 -1.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0235 -1.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -2.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -3.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4164 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -4.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8447 -2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -2.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -4.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -5.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 -0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7879 -3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1909 -1.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 -6.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9519 3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 3 27 2 0 0 0 0 4 35 1 0 0 0 0 4 37 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 34 6 1 1 0 0 0 7 42 1 0 0 0 0 7 46 1 0 0 0 0 38 8 1 6 0 0 0 9 44 1 0 0 0 0 36 10 1 1 0 0 0 10 79 1 0 0 0 0 39 11 1 6 0 0 0 11 80 1 0 0 0 0 12 48 1 0 0 0 0 43 13 1 6 0 0 0 13 82 1 0 0 0 0 45 14 1 6 0 0 0 14 83 1 0 0 0 0 15 47 1 0 0 0 0 16 88 1 0 0 0 0 17 89 1 0 0 0 0 20 49 2 0 0 0 0 21 51 2 0 0 0 0 22 53 2 0 0 0 0 23 57 2 0 0 0 0 24 58 2 0 0 0 0 25 94 1 0 0 0 0 26 60 2 0 0 0 0 37 28 1 6 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 41 29 1 1 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 46 30 1 1 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 49 1 0 0 0 0 31 57 1 0 0 0 0 31 86 1 0 0 0 0 32 51 1 0 0 0 0 32 58 1 0 0 0 0 32 90 1 0 0 0 0 33 53 1 0 0 0 0 33 60 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 35 44 1 6 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 65 1 0 0 0 0 39 41 1 0 0 0 0 39 66 1 0 0 0 0 40 47 1 1 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 42 43 1 0 0 0 0 42 48 1 1 0 0 0 42 69 1 0 0 0 0 43 45 1 0 0 0 0 43 70 1 0 0 0 0 44 71 1 0 0 0 0 44 72 1 0 0 0 0 45 46 1 0 0 0 0 45 73 1 0 0 0 0 46 74 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 50 55 2 0 0 0 0 50 81 1 0 0 0 0 52 56 2 0 0 0 0 52 84 1 0 0 0 0 54 59 2 0 0 0 0 54 85 1 0 0 0 0 55 57 1 0 0 0 0 55 87 1 0 0 0 0 56 58 1 0 0 0 0 56 91 1 0 0 0 0 59 60 1 0 0 0 0 59 93 1 0 0 0 0 M CHG 1 3 1 M END > 42627757 > 1 > 1970 > 24 > 10 > 16 > AAADcfB7vgMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(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)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-oxo-phosphonium > [(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)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxy-oxophosphonium > [(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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium > [(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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium > [(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]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-oxidanylidene-phosphanium > [(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)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-keto-phosphonium > InChI=1S/C27H33N6O24P3/c34-13-1-4-31(25(41)28-13)22-17(38)16(37)10(53-22)8-51-59(46,47)57-21-12(55-24(19(21)40)33-6-3-15(36)30-27(33)43)9-52-60(48,49)56-20-11(7-50-58(44)45)54-23(18(20)39)32-5-2-14(35)29-26(32)42/h1-6,10-12,16-24,37-40H,7-9H2,(H5-,28,29,30,34,35,36,41,42,43,44,45,46,47,48,49)/p+1/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > FAXRELWFACFAFI-GDDMVZOWSA-O > -8.7 > 919.08373197 > C27H34N6O24P3+ > 919.5 > 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)CO[P+](=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)CO[P+](=O)O)O)O > 415 > 919.08373197 > 1 > 60 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 10 5 39 11 6 43 13 6 45 14 6 37 28 6 28 49 8 28 50 8 41 29 5 29 51 8 29 52 8 46 30 5 30 53 8 30 54 8 31 49 8 31 57 8 32 51 8 32 58 8 33 53 8 33 60 8 35 44 6 40 47 5 42 48 5 50 55 8 52 56 8 54 59 8 55 57 8 56 58 8 59 60 8 34 6 5 38 8 6 $$$$