Molecule ID: 121225519

IUPAC Name: [(2R,3S,5R)-5-[5-(4,5-dihydroxypentyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5-(4,5-dihydroxypentyl)uracil as the nucleobase. It has a role as a Mycoplasma genitalium metabolite. It derives from a dUMP.

SMILES: O=c1nc(O)c(CCCC(O)CO)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

SELFIES: [O][=C][N][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][C][Branch1][C][O][C][O][=C][N][Ring1][=C][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]

InChI: InChI=1S/C14H23N2O10P/c17-6-9(18)3-1-2-8-5-16(14(21)15-13(8)20)12-4-10(19)11(26-12)7-25-27(22,23)24/h5,9-12,17-19H,1-4,6-7H2,(H,15,20,21)(H2,22,23,24)/t9?,10-,11+,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: -3.5