91532 -OEChem-10051720243D 49 51 0 1 0 0 0 0 0999 V2000 3.4099 -1.3144 1.4796 P 0 0 2 0 0 0 0 0 0 0 0 0 4.2016 1.3643 0.5523 P 0 0 1 0 0 0 0 0 0 0 0 0 2.5195 2.4346 -1.9414 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 -2.2087 0.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 -4.2923 -1.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 -2.0368 -2.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -2.0854 1.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.1347 0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -2.0454 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8644 -1.2639 2.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 1.9763 2.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4559 1.0245 -0.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 1.0481 -1.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 2.0615 -2.7994 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 3.6275 -2.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 -0.3995 0.3593 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 1.7004 1.0832 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 -0.4485 -0.0776 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6653 1.6970 0.4397 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 3.5643 1.2673 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -3.1274 -1.3675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3730 -1.8915 -1.4552 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1601 -2.9632 -0.0018 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8549 -1.7590 -0.0185 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4747 -2.1984 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 0.1455 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3903 0.5744 0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 1.4465 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 2.2323 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6629 0.4088 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 2.5938 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 -3.2337 -2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -1.0207 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -3.9240 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -2.3943 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -1.1904 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 -2.7235 -0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 -4.2933 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -2.2341 -3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 0.4139 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2853 2.7530 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 3.5285 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6277 0.0131 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 -2.9043 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 3.9664 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 4.1154 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9986 1.4915 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 0.7520 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 1.9529 -3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 2 31 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 31 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 38 1 0 0 0 0 6 22 1 0 0 0 0 6 39 1 0 0 0 0 7 25 1 0 0 0 0 9 44 1 0 0 0 0 11 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 16 24 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 27 2 0 0 0 0 17 28 1 0 0 0 0 18 26 2 0 0 0 0 18 30 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 29 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 27 40 1 0 0 0 0 28 29 2 0 0 0 0 30 43 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 M END > DB03909 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UFZTZBNSLXELAL-IOSLPCCCSA-N/SDF?record_type=3d > [H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O > InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 > UFZTZBNSLXELAL-IOSLPCCCSA-N > C11H18N5O12P3 > 505.2082 > 505.016480601 > 14 > 49 > -3.095343477965133 > 39.97499604224561 > 0 > 7 > 0 > 0 > ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid > -1.08 > -5.967175221905436 > -2.06 > 1 > -3 > 3 > -3 > 1.3764601883016518 > 1.1119000631037412 > 4.931772760064632 > 269.9 > 98.16799999999998 > 8 > 0 > 4.45e+00 g/l > tetrahydrofolic acid > 0 $$$$