Molecule ID: 71581040

IUPAC Name: (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]-3-hydroxybutanoic acid

Description: The molecule is a ribonucleoside 5'-monophosphate that is wyosine 5'-monophosphate substituted at position 7 by a 2-hydroxy-3-amino-3-carboxypropyl group. It derives from a guanosine. It is a tautomer of a 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate zwitterion.

SMILES: Cc1nc2n(C)c3c(ncn3[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)n2c1CC(O)[C@H](N)C(=O)O

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

InChI: InChI=1S/C18H25N6O11P/c1-6-7(3-8(25)10(19)17(29)30)24-15(28)11-14(22(2)18(24)21-6)23(5-20-11)16-13(27)12(26)9(35-16)4-34-36(31,32)33/h5,8-10,12-13,16,25-27H,3-4,19H2,1-2H3,(H,29,30)(H2,31,32,33)/t8?,9-,10+,12-,13-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 256.0 Ų
- LogP: -6.4