cholesteryl 5-carboxypentyl ether N-hydroxysuccinimide ester
Basic information
- CAS
103003-22-1- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](OCCCCCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)C3CC[C@@]21C- InChIKey
SRUSSDSOIDVONS-GBIUIJDGSA-N- Molecular formula
- C37H59NO5
- Average molar mass
- 597.9 g/mol
- Monoisotopic mass
- 597.43932398
Overview
cholesterol-binding agent
Names & identifiers
- Preferred name
- cholesteryl 5-carboxypentyl ether N-hydroxysuccinimide ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 6-[[(3S,10R,13R,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]hexanoate
- English name
- cholesteryl 5-carboxypentyl ether N-hydroxysuccinimide ester
- Molecular formula
- C37H59NO5
- Molecular weight
- 597.87
Names & synonyms
Cholesteryl ether ester103003-22-1Cholesteryl 5-carboxypentyl ether N-hydroxysuccinimide esterRefChem:125697(2,5-dioxopyrrolidin-1-yl) 6-[[(3S,10R,13R,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]hexanoateDTXSID409081571-({6-[(Cholest-5-en-3-yl)oxy]hexanoyl}oxy)pyrrolidine-2,5-dione2,5-Dioxopyrrolidin-1-yl 6-{[(8xi,9xi,14xi)-cholest-5-en-3beta-yl]oxy}hexanoate2,5-Pyrrolidinedione, 1-[[6-[[(3β)-cholest-5-en-3-yl]oxy]-1-oxohexyl]oxy]- (9CI)
Database identifiers
- CAS
103003-22-1- PubChem CID
- 128231
- DTXSID
DTXSID40908157
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Boiling point
- 655.58 · 655.580±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.097 · 1.097±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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