nebularine

AlkaPlorer ID: AK025535

Synonym: 'Purine-9-beta-D-ribofuranoside', 'Purine nucleoside', '9-beta-D-Ribofuranosyl-9H-purine', 'N-D-Ribosylpurine', 'Purine riboside', 'Nebularine', 'Ribosylpurine', 'Purinosine'

IUPAC Name: (2S,3R,4S,5S)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol

Structure

SMILES: OC[C@@H]1O[C@H](N2C=NC3=CN=CN=C32)[C@@H](O)[C@H]1O

copy

InChI: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m0/s1

copy

InChIKey: MRWXACSTFXYYMV-GHCJXIJMSA-N

copy

Source

Properties Information

Molecule Weight: 252.23000000000005

TPSA: 113.52

MolLogP: -1.5622000000000007

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information