Basic information
- CAS
35827-89-5- Standard SMILES
Nc1ncnc2c1nnn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OAUKGFJQZRGECT-ICKFSKTQSA-N- Molecular formula
- C9H12N6O4
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.09200289
Overview
RN given refers to (D)-isomer
Names & identifiers
- Preferred name
- 9-alpha-Arabinofuranosyl-8-azaadenine
- IUPAC
- (2S,3S,4S,5R)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
35827-89-59-alpha-Arabinofuranosyl-8-azaadenine9-alpha-D-Arabinofuranosyl-8-azaadenineRefChem:107725CHEMBL3248867SCHEMBL29436000NSC 1463653H-v-Triazolo[4,5-d]pyrimidine,7-amino-3-alpha-D-arabinofuranosyl-3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine, 3-alpha-D-arabinofuranosyl-(2S,3S,4S,5R)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Database identifiers
- CAS
35827-89-5- PubChem CID
- 98544
- ChEMBL
CHEMBL3248867
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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