Basic information
- CAS
95690-58-7- Standard SMILES
CCOC12CC(OC)C3CC(C1C3O)C13C(OC)CCC4(COC)CN(CC)C1C2C(O)C43- InChIKey
GSIGYIPNYJPOGN-UHFFFAOYSA-N- Molecular formula
- C26H43NO6
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.30903809
Names & identifiers
- Preferred name
- Columbidine
- IUPAC
- 8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,18-diol
Names & synonyms
O8-EthyltalatizamineColumbidine95690-58-7Columbid herpesvirusColumbid herpesvirus 1ColumbidineRefChem:127553DTXSID509148608-Ethoxy-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,14-diol
Database identifiers
- CAS
95690-58-7- PubChem CID
- 178790
- DTXSID
DTXSID50914860
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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