Mrv0541 02231219062D 59 64 0 0 1 0 999 V2000 19.1540 -9.9131 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 17.9559 -15.5019 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 18.8546 -11.3103 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 18.2554 -14.1045 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 18.5551 -12.7074 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 18.4157 -7.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4240 -18.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4586 -5.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3595 -19.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5111 -7.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -17.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9004 -9.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2096 -16.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4075 -10.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7024 -14.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9390 -9.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7410 -15.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3690 -10.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1710 -15.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0120 -4.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1564 -22.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3014 -11.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8086 -13.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 -10.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6434 -13.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4667 -11.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8677 -14.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3400 -12.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7700 -12.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7506 -6.1634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6515 -19.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3659 -4.7914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1564 -19.6419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4878 -5.7531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6515 -21.1309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4097 -3.7293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4419 -20.8794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8074 -3.4322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7275 -19.6419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2022 -6.3959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6928 -18.7653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6861 -7.0641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6942 -17.9403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4172 -6.6495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9078 -19.0190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1999 -7.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9101 -17.6841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4536 -8.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 -16.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7528 -5.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8708 -20.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9704 -6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1328 -20.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9682 -5.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8708 -20.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7966 -4.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1564 -21.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1942 -3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4419 -20.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 1 0 0 0 1 18 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 1 0 0 0 2 19 2 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 3 24 1 1 0 0 0 3 26 2 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 6 0 0 0 4 27 2 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 1 0 0 0 5 29 2 0 0 0 0 6 44 1 0 0 0 0 6 46 1 0 0 0 0 7 45 1 0 0 0 0 7 47 1 0 0 0 0 40 8 1 6 0 0 0 41 9 1 6 0 0 0 42 10 1 6 0 0 0 43 11 1 6 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 20 56 2 0 0 0 0 21 57 2 0 0 0 0 44 30 1 1 0 0 0 30 50 1 0 0 0 0 30 52 1 0 0 0 0 45 31 1 1 0 0 0 31 51 1 0 0 0 0 31 53 1 0 0 0 0 32 50 1 0 0 0 0 32 58 1 0 0 0 0 33 51 1 0 0 0 0 33 59 1 0 0 0 0 34 52 2 0 0 0 0 34 54 1 0 0 0 0 35 53 2 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 36 58 2 0 0 0 0 37 57 1 0 0 0 0 37 59 2 0 0 0 0 38 58 1 0 0 0 0 39 59 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 43 47 1 0 0 0 0 46 48 1 1 0 0 0 47 49 1 1 0 0 0 50 54 2 0 0 0 0 51 55 2 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 M END > CHEM035197 > chemdb > NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1O[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@H](O)[C@@H]1O > InChI=1S/C20H29N10O24P5/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(49-17)1-47-55(37,38)51-57(41,42)53-59(45,46)54-58(43,44)52-56(39,40)48-2-6-10(32)12(34)18(50-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6+,9-,10+,11-,12+,17-,18+ > RELSGTOCAPVUGP-DTFXMBEISA-N > C20H29N10O24P5 > 948.3657 > 948.004424466 > 26 > 71.84187967920501 > 0 > 13 > 0 > 0 > {[(2S,3R,4S,5S)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > 0.54 > -5.291436946666668 > -1.59 > 1 > 6 > -3 > 1.1936043281215163 > 0.4076319582801431 > -2.6934705615424033 > 511.8599999999999 > 178.96089999999984 > 16 > 0 > 2.42e+01 g/l > [(2S,3R,4S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid > 0 > Diguanosine pentaphosphate > 78101-73-2 $$$$