Molecule ID: 3080705

IUPAC Name: [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a ribonucleoside monophosphate that is tubercidin with a phosphate group replacing the hydrogen on the 5'-hydroxy group. It has a role as a metabolite. It derives from a tubercidin.

SMILES: Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=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]

InChI: InChI=1S/C11H15N4O7P/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(22-11)3-21-23(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: -3.0