23,25-Dihydroxy-24-keto-cholecalciferol

Base Information

• Chemical Name: 23,25-Dihydroxy-24-keto-cholecalciferol
• CAS No.: 84164-55-6
• Molecular Formula: C27H42 O4
• Molecular Weight: 0
• Mol file: 84164-55-6.mol

Synonyms:23,25-dihydroxy-24-keto-cholecalciferol;23,25-dihydroxy-24-oxo-vitamin D3;23,25-dihydroxy-24-oxocholecalciferol;23,25-dihydroxy-24-oxovitamin D3;23,25-DO-vitamin D3

Chemical Property of 23,25-Dihydroxy-24-keto-cholecalciferol

Chemical Property:

• Vapor Pressure: 4.39E-16mmHg at 25°C
• Boiling Point: 584.2°C at 760 mmHg
• Flash Point: 321.2°C
• PSA: 77.76000
• Density: 1.1g/cm³
• LogP: 4.88370
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 430.30830982
• Heavy Atom Count: 31
• Complexity: 761

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C(=O)C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)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](CCC3=C)O)C