Molecule ID: 49867229

IUPAC Name: [(1R,3R,4R,7S)-3-(6-aminopurin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate

Description: The molecule is a nucleoside monophosphate analogue derived from the formal condensation of the N(1)-nitrogen of adenine with 2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranose. It is a nucleoside monophosphate analogue and a bridged compound. It derives from an adenine.

SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@@]2(COP(=O)(O)O)CO[C@@H]1[C@@H]2O

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

InChI: InChI=1S/C11H14N5O7P/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(17)11(23-10,1-21-6)2-22-24(18,19)20/h3-4,6-7,10,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/t6-,7+,10-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -3.4