Molecule ID: 118987292

IUPAC Name: [(2R,3S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a 2'-deoxyribonucleoside 5'-monophosphate that is the 8-aza analogue of 2'-deoxyadenosine 5'-monophosphate. It has a role as a Mycoplasma genitalium metabolite. It is a 2'-deoxyribonucleoside 5'-monophosphate, a member of triazolopyrimidines, a N-glycosyl compound and a nucleoside monophosphate analogue. It derives from an 8-azaadenine.

SMILES: Nc1ncnc2c1nnn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1

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

InChI: InChI=1S/C9H13N6O6P/c10-8-7-9(12-3-11-8)15(14-13-7)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,10,11,12)(H2,17,18,19)/t4-,5+,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -2.9