Molecule ID: 139600872

IUPAC Name: [[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

Description: The molecule is a 2',3'-dideoxyribonucleoside diphosphate oxoanion obtained from 2',3'-dideoxythymidine diphosphate by deprotonation of the diphosphate OH groups; major species at pH 7.3.

SMILES: Cc1cn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)([O-])[O-])O2)c(=O)nc1[O-]

SELFIES: [C][C][=C][N][Branch2][Ring1][=N][C@H1][C][C][C@@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][O][Ring1][#C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][=Branch1][O-1]

InChI: InChI=1S/C10H16N2O10P2/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(21-8)5-20-24(18,19)22-23(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,11,13,14)(H2,15,16,17)/p-3/t7-,8+/m0/s1

Molecular Properties:
- Polar Surface Area: 180.0 Ų
- LogP: -4.1