Molecule ID: 21145194

IUPAC Name: [[(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

Description: The molecule is a 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the three diphosphate OH groups of 2'-deoxy-5-(hydroxymethyl)cytidine 5'-diphosphate ; major species at pH 7.3. It derives from a dCDP(3-).

SMILES: N=c1nc([O-])n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])[O-])O2)cc1CO

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

InChI: InChI=1S/C10H17N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/p-3/t6-,7+,8+/m0/s1

Molecular Properties:
- Polar Surface Area: 230.0 Ų
- LogP: -5.0