(1R,2S)-2-(hexadecylcarbamoyl)cyclohexanecarboxylic acid
Basic information
- CAS
199531-36-7- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)O- InChIKey
VETZLLXJQUEXRH-FCHUYYIVSA-N- Molecular formula
- C24H45NO3
- Average molar mass
- 395.6 g/mol
Names & identifiers
- Preferred name
- (1R,2S)-2-(hexadecylcarbamoyl)cyclohexanecarboxylic acid
- IUPAC
- cis-(1R,2S)-2-(hexadecylcarbamoyl)cyclohexane-1-carboxylic acid
- English name
- 2-[(hexadecylamino)carbonyl]cyclohexanecarboxylic acid
- Molecular formula
- C24H45NO3
- Molecular weight
- 395.62
Names & synonyms
STK039878AKOS022080866(1R,2S)-2-(hexadecylcarbamoyl)cyclohexanecarboxylic acidCIS-N-(HEXADECYL)HEXAHYDROPHTHALAMIC ACID2-[(hexadecylamino)carbonyl]cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-[(hexadecylamino)carbonyl]-, (1R,2S)-rel-
Database identifiers
- CAS
199531-36-7
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 568.856 · 568.856±39.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.974 · 0.974±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.625 · 4.625±0.44(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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