Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O- InChIKey
RMIAANGDAQJRIT-QRKAXHLRSA-N- Molecular formula
- C12H15N5O5
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.1073186
Names & identifiers
- Preferred name
- 9-(5-O-acetyl-beta-D-arabinofuranosyl)adenine
- IUPAC
- [(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Names & synonyms
CHEMBL3245970SCHEMBL11584743RMIAANGDAQJRIT-QRKAXHLRSA-N9-(5-O-acetyl-beta-D-arabinofuranosyl)adenine
Database identifiers
- PubChem CID
- 10244806
- ChEMBL
CHEMBL3245970
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
1 records
Compound notes
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