Grundinformationen
- Standard-SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N- Summenformel
- C31H50O4
- Durchschnittliche Molmasse
- 486,7 g/mol
- Monoisotopische Masse
- 486,37091008
Überblick
Cholesteryl hemisuccinate is a dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. It has a role as a detergent. It is a cholestane ester, a hemisuccinate and a dicarboxylic acid monoester. It is functionally related to a cholesterol.
Namen und Bezeichner
- Bevorzugter Name
- Cholesteryl hemisuccinate
- IUPAC
- 4-[[(3S,8S,9S,10R,13R,14S,17R)-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-yl]oxy]-4-oxobutanoic acid
Namen und Synonyme
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Datenbank-Bezeichner
- CAS
1510-21-0- PubChem CID
- 65082
- DTXSID
DTXSID10934145- ChEBI
CHEBI:138742- UNII
- T3J4KS4201
- EC Number
- 216-148-6
- Nikkaji
- J206.716A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,5
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 815
Experimentelle und physikochemische Eigenschaften
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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