65177 -OEChem-12161918143D 35 36 0 1 0 0 0 0 0999 V2000 3.9747 1.4773 0.1770 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -0.7499 0.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 -3.7900 0.2795 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 -1.1147 -1.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.3506 0.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 -1.4735 0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 2.1600 -1.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 0.5999 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 2.4295 1.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 -0.1970 0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 0.7039 0.2244 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 2.9354 -0.3059 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 -2.5915 -0.4699 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4793 -2.0114 -0.8298 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4795 -1.5348 0.4546 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8423 -1.2669 0.4457 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4367 -0.5879 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 1.0554 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -0.3758 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.1058 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 1.8755 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 -2.8247 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2381 -2.7539 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -1.9842 1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2418 -1.9653 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -0.0422 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -1.1496 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -3.5784 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.6402 -2.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2267 1.1695 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 3.0815 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 3.8565 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4035 2.8238 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 2.9315 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 1.0530 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 6 19 2 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 M END > DB02456 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IERHLVCPSMICTF-CCXZUQQUSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O > InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 > IERHLVCPSMICTF-CCXZUQQUSA-N > C9H14N3O8P > 323.1965 > 323.051850951 > 9 > 35 > -1.9165690650704235 > 27.223160112961807 > 1 > 5 > 0 > 0 > {[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid > -2.05 > -2.8934024188038934 > -1.30 > 0 > -2 > 2 > -2 > 6.255857057306618 > 1.152401419665952 > 4.194662316161269 > 175.14000000000001 > 65.4177 > 4 > 1 > 1.63e+01 g/l > cysteine hcl > 0 $$$$