Molecule ID: 439973

IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a purine ribonucleoside 5'-monophosphate consisting of 5'-xanthylic acid having an oxo group at the 8-position. It derives from a 5'-xanthylic acid.

SMILES: O=P(O)(O)OC[C@H]1O[C@@H](n2c(O)nc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

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

InChI: InChI=1S/C10H13N4O10P/c15-4-2(1-23-25(20,21)22)24-8(5(4)16)14-6-3(11-10(14)19)7(17)13-9(18)12-6/h2,4-5,8,15-16H,1H2,(H,11,19)(H2,20,21,22)(H2,12,13,17,18)/t2-,4-,5-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 207.0 Ų
- LogP: -4.9