Basic information
- CAS
156856-03-0- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WLHQSAYHIOPMMJ-UOQFGJKXSA-N- Molecular formula
- C27H47NO
- Average molar mass
- 401.7 g/mol
- Monoisotopic mass
- 401.36576512
Overview
7-aminocholesterol is a 3beta-sterol that is cholesterol substituted at position 7 by an amino group. It has a role as an antibacterial agent. It is a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol, a cholestanoid and a primary amino compound. It is functionally related to a cholesterol.
Names & identifiers
- Preferred name
- (3beta)-7-Aminocholest-5-en-3-ol
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-7-amino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 7-Aminocholesterol
- Molecular formula
- C27H47NO
- Molecular weight
- 401.67
Names & synonyms
7-Aminocholesterol156856-03-0(3beta)-7-Aminocholest-5-en-3-olCHEBI:77845RefChem:1057907-aminocholest-5-en-3beta-ol7-Aminocholest-5-en-3-ol (3beta)-7-Aminocholest-5-en-3-ol(3S,8S,9S,10R,13R,14S,17R)-7-amino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSCHEMBL1070587DTXSID40935544Cholest-5-en-3-ol, 7-amino-, (3beta)-
Show more names
Cholest-5-en-3-ol, 7-amino-, (3β)-
Q27147457
Database identifiers
- CAS
156856-03-0- PubChem CID
- 133019
- DTXSID
DTXSID40935544- ChEBI
CHEBI:77845- Nikkaji
Properties
Computed structural properties
- XLogP
- 7.2
- 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
- Melting point
- 167 · 167-170 °C(Solv: acetone (67-64-1))
- Boiling point
- 503.4 · 503.4±43.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: A 3beta-sterol that is cholesterol substituted at position 7 by an amino group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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