Molecule ID: 54511713

IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid

Description: The molecule is a nucleoside monophosphate analogue that is 2'-deoxyuridine-5'-monophosphate in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group. It has a role as a Mycoplasma genitalium metabolite. It is a nucleoside monophosphate analogue, an aromatic carboxylic acid and a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate. It derives from a dUMP.

SMILES: O=C(O)c1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O

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

InChI: InChI=1S/C10H13N2O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)12-2-4(9(15)16)8(14)11-10(12)17/h2,5-7,13H,1,3H2,(H,15,16)(H,11,14,17)(H2,18,19,20)/t5-,6+,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 183.0 Ų
- LogP: -2.9