Basic information
- CAS
559-82-0- Standard SMILES
CC1CCC2N(C1)CC1C3(O)CC4(O)C(CCC5C(=O)C(O)CCC54C)C3(O)CC(O)C1(O)C2(C)O- InChIKey
BPPPYIAMTVHQOI-UHFFFAOYSA-N- Molecular formula
- C27H43NO8
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.29886733
Names & identifiers
- Preferred name
- Cevagenine
- IUPAC
- 1,10,11,12,14,20,24-heptahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-19-one
Names & synonyms
Cevagenine559-82-03,9,12,14,16,17,20-heptahydroxycevan-4-oneDTXSID80971300NSC123419NSC-123419
Database identifiers
- CAS
559-82-0- PubChem CID
- 276151
- DTXSID
DTXSID80971300
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 979
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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