Basic information
- CAS
85421-86-9- Standard SMILES
CC(O)C1OC(n2cnc3c(=O)[nH]cnc32)C(O)C1O- InChIKey
GNEUXCLUOVTONK-UHFFFAOYSA-N- Molecular formula
- C11H14N4O5
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.09641956
Names & identifiers
- Preferred name
- 9-(6-Deoxyhexofuranosyl)-9H-purin-6-ol
- IUPAC
- 9-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-1H-purin-6-one
Names & synonyms
NSC337589NSC353459DTXSID701005939NSC345413NSC347786NSC-337589NSC-345413NSC-3477869-(6-Deoxyhexofuranosyl)-9H-purin-6-ol
Database identifiers
- CAS
85421-86-9- PubChem CID
- 135437474
- DTXSID
DTXSID701005939
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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