Molecule ID: 27476

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol

Description: The molecule is a methyladenosine carrying a methyl substituent at position 1. It has a role as a human metabolite. It derives from an adenosine.

SMILES: Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N

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

InChI: InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -1.0