[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-oxo-2,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate
Basic information
- Standard SMILES
CC(=O)OCC1OC(n2cnc3c(Cl)nc(O)nc32)C(OC(C)=O)C1OC(C)=O- InChIKey
UDPLUTIBYLKPII-UHFFFAOYSA-N- Molecular formula
- C16H17ClN4O8
- Average molar mass
- 428.8 g/mol
- Monoisotopic mass
- 428.0734912
Names & identifiers
- Preferred name
- [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-oxo-2,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-(6-chloro-2-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
Names & synonyms
6-Chloro-2-hydroxy-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-oxo-2,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate
Database identifiers
- PubChem CID
- 3653474
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 854
Related reactions
1 records
Compound notes
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