Trans-2-(6-chloro-9H-purin-9-yl)cyclohexanol
Basic information
- CAS
5463-96-7- Standard SMILES
O[C@@H]1CCCC[C@H]1n1cnc2c(Cl)ncnc21- InChIKey
CKTCXOLCNXSTKZ-HTQZYQBOSA-N- Molecular formula
- C11H13ClN4O
- Average molar mass
- 252.7 g/mol
- Monoisotopic mass
- 252.0777887
Names & identifiers
- Preferred name
- Trans-2-(6-chloro-9H-purin-9-yl)cyclohexanol
- IUPAC
- trans-(1R,2R)-2-(6-chloropurin-9-yl)cyclohexan-1-ol
- English name
- (1R,2R)-2-(6-chloropurin-9-yl)cyclohexan-1-ol
- Molecular formula
- C11H13ClN4O
- Molecular weight
- 252.7
Names & synonyms
5463-96-7Trans-2-(6-chloro-9H-purin-9-yl)cyclohexanolNSC21309(1R,2R)-2-(6-chloro-9H-purin-9-yl)cyclohexan-1-olNSC-21309(1R,2R)-2-(6-chloropurin-9-yl)cyclohexan-1-olCyclohexanol, 2-(6-chloro-9H-purin-9-yl)-, trans- (9CI)
Database identifiers
- CAS
5463-96-7- PubChem CID
- 228399
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…