1,3,4-Octadecanetriol, 2-(methylamino)-, (2S,3S,4R)-
Basic information
- CAS
2700-66-5- Standard SMILES
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC- InChIKey
MVJTYCNXGLUCLC-OTWHNJEPSA-N- Molecular formula
- C19H41NO3
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.30864417
Names & identifiers
- Preferred name
- 1,3,4-Octadecanetriol, 2-(methylamino)-, (2S,3S,4R)-
- IUPAC
- (2S,3S,4R)-2-(methylamino)octadecane-1,3,4-triol
Names & synonyms
1,3,4-Octadecanetriol, 2-(methylamino)-, (2S,3S,4R)-2700-66-5DTXSID20469534(2S,3S,4R)-2-(methylamino)octadecane-1,3,4-triol
Database identifiers
- CAS
2700-66-5- PubChem CID
- 11616915
- DTXSID
DTXSID20469534
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…