Mrv0541 02231215492D 21 22 0 0 1 0 999 V2000 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 -3.6695 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 4 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > DB01903 > drugbank > O[C@@H]1C[C@@H](O[C@H]1COP(O)(O)=O)N1C=C(Br)C(=O)NC1=O > InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7-/m1/s1 > InChIKey=LHLHVDBXXZVYJT-DSYKOEDSSA-N > 7 > 28.952164869978617 > 1 > 4 > 385.951464529 > 0 > C9H12BrN2O8P > 0 > {[(2S,3R,5R)-5-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid > -0.90 > -0.8126765109999996 > -1.71 > 387.078 > 0 > 2 > -2 > 6.25145476887087 > 1.232757416298858 > -3.2403443486600283 > 145.63 > 69.53710000000001 > 4 > 1 > 7.54e+00 g/l > [(2S,3R,5R)-5-(5-bromo-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid > 0 > DB01903 > experimental > 5-Bromo-2'-Deoxyuridine-5'-Monophosphate $$$$