Molecule ID: 134716619

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

Description: The molecule is major microspecies at pH 7.3 It is an organophosphate oxoanion and an organic phosphoramidate anion. It derives from a CDP(3-).

SMILES: N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(N)(=O)[O-])[C@@H](O)[C@H]2O)c([O-])n1

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

InChI: InChI=1S/C9H16N4O10P2/c10-5-1-2-13(9(16)12-5)8-7(15)6(14)4(22-8)3-21-25(19,20)23-24(11,17)18/h1-2,4,6-8,14-15H,3H2,(H,19,20)(H2,10,12,16)(H3,11,17,18)/p-2/t4-,6-,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 233.0 Ų
- LogP: -4.9