22-Aminocholesterol
Basic information
- CAS
50921-65-8- Standard SMILES
CC(C)CCC(N)[C@@H](C)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AGRHLODVOQJVIA-FCHFFHBUSA-N- Molecular formula
- C27H47NO
- Average molar mass
- 401.7 g/mol
- Monoisotopic mass
- 401.36576512
Overview
structure
Names & identifiers
- Preferred name
- 22-Aminocholesterol
- IUPAC
- (3S,8S,9S,10R,13S,14S)-17-[(2S)-3-amino-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 22-aminocholesterol
- Molecular formula
- C27H47NO
- Molecular weight
- 401.67
Names & synonyms
22-Aminocholesterol50921-65-8RefChem:89692(3S,8S,9S,10R,13S,14S)-17-[(2S)-3-amino-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol22-Aminocholest-5-en-3-olDTXSID80965204(17xi)-22-Aminocholest-5-en-3beta-olCholest-5-en-3-ol, 22-amino-, (3beta,22R)-Cholest-5-en-3-ol, 22-amino-, (3β,22R)- (9CI)
Database identifiers
- CAS
50921-65-8- PubChem CID
- 170937
- DTXSID
DTXSID80965204
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 626
Physicochemical properties
- Boiling point
- 507.5 · 507.5±23.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 15.03 · 15.03±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…