Molecule ID: 90116260

IUPAC Name: 6-amino-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1H-pyrimidin-2-one

Description: The molecule is a beta-D-glucoside derived from formal condensation of the hydroxy group of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of D-glucopyranose. It is a beta-D-glucoside, a pyrimidone and an aminopyrimidine. It derives from a 5-(hydroxymethyl)cytosine.

SMILES: N=c1[nH]c(O)ncc1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [N][=C][NH1][C][Branch1][C][O][=N][C][=C][Ring1][#Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C11H17N3O7/c12-9-4(1-13-11(19)14-9)3-20-10-8(18)7(17)6(16)5(2-15)21-10/h1,5-8,10,15-18H,2-3H2,(H3,12,13,14,19)/t5-,6-,7+,8-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.7