Molecule ID: 71627186

IUPAC Name: methyl (2S)-2-amino-4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]butanoate

Description: The molecule is a ribonucleoside 5'-monophosphate having methyl (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoate as the nucleobase. It is a ribonucleoside 5'-monophosphate and a methyl ester. It derives from a guanosine.

SMILES: COC(=O)[C@@H](N)CCc1c(C)nc2n(C)c3c(ncn3[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n12

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

InChI: InChI=1S/C19H27N6O10P/c1-8-10(5-4-9(20)18(29)33-3)25-16(28)12-15(23(2)19(25)22-8)24(7-21-12)17-14(27)13(26)11(35-17)6-34-36(30,31)32/h7,9,11,13-14,17,26-27H,4-6,20H2,1-3H3,(H2,30,31,32)/t9-,11+,13+,14+,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 225.0 Ų
- LogP: -5.1