20-Hydroperoxycholesterol

Base Information

• Chemical Name: 20-Hydroperoxycholesterol
• CAS No.: 23653-01-2
• Molecular Formula: C27H46O3
• Molecular Weight: 418.6523
• UNII: 491K3LYV0F
• DSSTox Substance ID: DTXSID50946469
• Nikkaji Number: J680.169B
• Wikidata: Q27896160
• Mol file: 23653-01-2.mol

Synonyms:20-hydroperoxycholesterol;cholesterol-20-hydroperoxide

Chemical Property of 20-Hydroperoxycholesterol

Chemical Property:

• Vapor Pressure: 7.85E-14mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 538.3°Cat760mmHg
• Flash Point: 279.3°C
• PSA: 49.69000
• Density: 1.06g/cm³
• LogP: 7.00090
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 418.34469533
• Heavy Atom Count: 30
• Complexity: 657

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OO
• Isomeric SMILES: CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OO