Molecule ID: 91820327

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]pyrimidin-2-one

Description: The molecule is an N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a beta-D-xylosyl residue. It has a role as a bacterial metabolite. It is a monosaccharide derivative, a N-glycosyl compound and a nucleobase-containing molecular entity. It derives from a cytosine and a beta-D-xylose.

SMILES: N=c1ccn([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)n1

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

InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(13)3-17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -2.3