Mrv2104 05272302252D 49 54 0 0 0 0 999 V2000 -0.5683 -3.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -4.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -5.0203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 -4.3528 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8169 -5.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 -6.3257 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -6.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 -6.4119 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6444 -7.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3119 -7.6311 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -8.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -6.9636 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9793 -8.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 -8.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -9.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -10.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 -10.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 -9.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 -9.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 -9.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -8.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -11.2860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1152 -11.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -12.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 -12.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0992 -12.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0992 -13.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8137 -12.3659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8137 -11.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0992 -11.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 -11.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -2.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 -2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -3.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -4.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 26 32 2 0 0 0 0 23 32 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 33 38 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 43 49 2 0 0 0 0 40 49 1 0 0 0 0 M CHG 3 5 -1 9 -1 13 -1 M END > NP0339856 > NP-MRD > NC1=NC=NC2=C1N=CN2C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O > InChI=1/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/p-3 > QCICUPZZLIQAPA-UHFFFAOYNA-K > C20H24N10O16P3 > 753.389 > 753.060106467 > 20 > 73 > 60.746392286974014 > 0 > 6 > -3 > 0 > bis({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinate > -10.026853177378666 > 1 > 6 > -3 > 1.653390693332109 > 0.8885778264485289 > 5.227963295509524 > 395.93 > 151.86580000000004 > 12 > 0 > bis({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinate > 0 > NP0339856 > 5',5'''-diadenosine triphosphate $$$$