446696 -OEChem-10051720043D 33 34 0 1 0 0 0 0 0999 V2000 -3.7597 -1.1804 0.1198 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 1.3091 0.9975 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 0.0371 0.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 1.5659 0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 -1.9299 -1.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -0.4253 -0.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 -2.0607 1.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 0.4681 0.1735 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -0.6750 0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 -2.9713 -0.3127 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4298 1.9704 0.3260 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7998 2.9590 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 1.6491 0.3397 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5155 2.3012 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2801 0.9149 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 -0.7412 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 0.5057 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -1.8873 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -1.8092 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 2.4827 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 3.9060 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 3.1766 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 2.3659 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 1.5577 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 3.0053 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 0.3373 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 1.3991 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.7542 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -2.8354 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -3.8666 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 -2.9647 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 -2.7558 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6559 -0.9437 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 17 2 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 17 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB02883 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RAJMXAZJKUGYGW-POYBYMJQSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1 > InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 > RAJMXAZJKUGYGW-POYBYMJQSA-N > C9H14N3O6P > 291.1977 > 291.062021707 > 7 > 33 > -1.899369728230268 > 25.172148416832858 > 1 > 3 > 0 > 0 > {[(2S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid > -1.72 > -1.275063012357918 > -1.42 > 0 > -2 > 2 > -2 > 6.343773673629712 > 1.2282092907041942 > 4.4097932634498065 > 134.68 > 63.1131 > 4 > 1 > 1.12e+01 g/l > tetrahydrofolic acid > 0 $$$$