448286 -OEChem-11211922143D 62 66 0 1 0 0 0 0 0999 V2000 0.4051 2.3921 -2.0474 P 0 0 2 0 0 0 0 0 0 0 0 0 2.7879 0.9274 1.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -0.3336 0.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 1.7561 -1.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 2.2561 -0.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8896 2.9372 2.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 1.8524 2.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 3.9830 -2.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 1.8104 -3.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 -0.4253 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -1.1288 1.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 -0.2826 0.0168 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 -3.3277 0.9235 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -0.8710 -0.9107 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8184 -0.9816 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -3.0117 -2.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -5.0592 -1.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9730 -1.5486 1.8594 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 1.8886 -0.5120 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0696 2.2839 0.8326 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5771 2.4773 0.9607 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2555 0.7460 0.3967 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1765 1.6737 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 1.0751 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 0.2491 1.4777 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2960 0.1592 -0.5990 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5744 2.4626 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 1.1028 1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -1.5859 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 -2.2117 1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5408 -0.4408 1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6785 -0.5581 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 -2.9513 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -0.8459 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -3.6696 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8297 -1.1267 1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 -1.6730 -1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 2.8803 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 2.9391 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 3.1871 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 0.3726 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6989 2.1393 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 2.0800 -1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0951 0.9189 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2003 0.8211 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1781 0.2132 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 -0.2589 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 3.4751 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 1.7448 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 0.1958 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 1.6883 2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 3.8195 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 -2.1267 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6501 -0.2174 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 2.0557 3.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 4.5691 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 -0.9678 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -1.1793 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5789 -5.5591 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -5.5525 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8173 -1.7512 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0136 -1.6702 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 5 27 1 0 0 0 0 6 21 1 0 0 0 0 6 52 1 0 0 0 0 7 28 1 0 0 0 0 7 55 1 0 0 0 0 8 56 1 0 0 0 0 10 32 2 0 0 0 0 11 25 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 30 2 0 0 0 0 13 33 1 0 0 0 0 14 29 2 0 0 0 0 14 37 1 0 0 0 0 15 32 1 0 0 0 0 15 36 2 0 0 0 0 16 35 1 0 0 0 0 16 37 2 0 0 0 0 17 35 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 36 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 28 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 33 1 0 0 0 0 30 53 1 0 0 0 0 31 34 2 0 0 0 0 31 54 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 57 1 0 0 0 0 37 58 1 0 0 0 0 M END > DB02573 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LYWWDKIADIGKTH-IDMWBNCISA-N/SDF?record_type=3d > [H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](CO)O1 > InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1 > LYWWDKIADIGKTH-IDMWBNCISA-N > C19H25N8O9P > 540.4238 > 540.14821095 > 13 > 62 > 49.01295181765321 > 0 > 5 > 0 > 0 > {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid > -2.26 > -3.1195033578833224 > -2.35 > 1 > 5 > -1 > 13.88669678354401 > 0.8045978109281433 > 4.773215374716562 > 242.99 > 121.8129 > 8 > 0 > 2.42e+00 g/l > udp-6-sulfoquinovose > 0 $$$$