60613 -OEChem-10051719133D 32 32 0 1 0 0 0 0 0999 V2000 2.9703 -1.5983 -0.2593 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 0.3086 0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 3.9351 -0.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3694 -1.4919 1.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -1.7917 -0.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 -2.6384 -0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -0.6258 1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 0.8428 0.2651 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -1.2517 0.6489 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4291 -1.8878 -0.6399 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.6147 -0.2322 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4793 1.8321 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8933 2.6326 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 0.0676 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 1.1221 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -0.3593 0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 0.2766 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 -0.9873 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 1.6802 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.7565 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 2.8370 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 2.5165 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 2.5993 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 0.1664 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 0.6823 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 2.0644 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 0.4755 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 4.5644 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 -2.3062 1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.6605 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -1.7117 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -2.7634 -0.1359 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 6 2 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 7 16 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 16 1 0 0 0 0 9 18 2 0 0 0 0 10 18 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 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 17 2 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB00369 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VWFCHDSQECPREK-LURJTMIESA-N/SDF?record_type=3d > NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1 > InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 > VWFCHDSQECPREK-LURJTMIESA-N > C8H14N3O6P > 279.187 > 279.062021707 > 8 > 32 > -1.1943068255238414 > 24.443744856112104 > 1 > 4 > 0 > 0 > ({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid > -2.12 > -2.3811260412015978 > -1.38 > 0 > -1 > 1 > -1 > 7.90519086231744 > 1.262366798410201 > 4.705230050567989 > 145.68 > 60.4279 > 6 > 1 > 1.15e+01 g/l > tetrahydrofolic acid > 0 $$$$