Molecule ID: 53957446

IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine 5'-monophosphate. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl-1,2,4-triazine, a 2'-deoxyribonucleoside 5'-monophosphate and a nucleoside monophosphate analogue. It derives from a 6-azathymine.

SMILES: Cc1nn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O

SELFIES: [C][C][=N][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/C9H14N3O8P/c1-4-8(14)10-9(15)12(11-4)7-2-5(13)6(20-7)3-19-21(16,17)18/h5-7,13H,2-3H2,1H3,(H,10,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -2.9