2-(2-Methylpropanamido)-9-[2-O-(oxolan-2-yl)-alpha-D-ribofuranosyl]-3,9-dihydro-6H-purin-6-one
Basic information
- CAS
87865-85-8- Standard SMILES
CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2OC2CCCO2)c(=O)[nH]1- InChIKey
ISRZQMAWGSHTLA-RILAOEAHSA-N- Molecular formula
- C18H25N5O7
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.17539815
Names & identifiers
- Preferred name
- 2-(2-Methylpropanamido)-9-[2-O-(oxolan-2-yl)-alpha-D-ribofuranosyl]-3,9-dihydro-6H-purin-6-one
- IUPAC
- N-[9-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(oxolan-2-yloxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Names & synonyms
87865-85-8DTXSID408315122-(2-Methylpropanamido)-9-[2-O-(oxolan-2-yl)-alpha-D-ribofuranosyl]-3,9-dihydro-6H-purin-6-one
Database identifiers
- CAS
87865-85-8- PubChem CID
- 136258124
- DTXSID
DTXSID40831512
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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