1,23,25-Trihydroxy-24-oxocholecalciferol

Base Information

• Chemical Name: 1,23,25-Trihydroxy-24-oxocholecalciferol
• CAS No.: 87678-01-1
• Molecular Formula: C27H42 O5
• Molecular Weight: 446.62
• Mol file: 87678-01-1.mol

Synonyms:1,23,25-trihydroxy-24-ketovitamin D3;24-keto-1,23,25-trihydroxyvitamin D3

Chemical Property of 1,23,25-Trihydroxy-24-oxocholecalciferol

Chemical Property:

• Vapor Pressure: 4.87E-18mmHg at 25°C
• Boiling Point: 621.3°C at 760 mmHg
• Flash Point: 343.6°C
• Density: 1.15g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 446.30322444
• Heavy Atom Count: 32
• Complexity: 794

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(C(=O)C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
• Isomeric SMILES: C[C@H](CC(C(=O)C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC(C3=C)O)O)C