Molecule ID: 52946596

IUPAC Name: 4-amino-1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one

Description: The molecule is a pyrimidine nucleoside derived from the formal condensation of the N(1)-nitrogen of 4-amino-5-methylcytosine with 2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranose. It is a nucleoside analogue, a pyrimidine nucleoside and a pyrimidone. It derives from a cytosine.

SMILES: Cc1cn([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3O)c(O)nc1=N

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

InChI: InChI=1S/C11H15N3O5/c1-5-2-14(10(17)13-8(5)12)9-6-7(16)11(3-15,19-9)4-18-6/h2,6-7,9,15-16H,3-4H2,1H3,(H2,12,13,17)/t6-,7+,9-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -2.1