Molecule ID: 121225515

IUPAC Name: [(2R,3S,5R)-5-(6-amino-4,5-dihydroxy-2-oxo-4,5-dihydropyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5,6-dihydroxy-5,6-dihydrocytosine as the nucleobase. It is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate and a nucleoside monophosphate analogue. It derives from a 2'-deoxycytosine 5'-monophosphate.

SMILES: N=C1N=C(O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(O)C1O

SELFIES: [N][=C][N][=C][Branch1][C][O][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][C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C9H16N3O9P/c10-7-6(14)8(15)12(9(16)11-7)5-1-3(13)4(21-5)2-20-22(17,18)19/h3-6,8,13-15H,1-2H2,(H2,10,11,16)(H2,17,18,19)/t3-,4+,5+,6?,8?/m0/s1

Molecular Properties:
- Polar Surface Area: 195.0 Ų
- LogP: -4.5