1alpha,23(S),25-trihydroxyvitamin D3

Base Information

• Chemical Name: 1alpha,23(S),25-trihydroxyvitamin D3
• CAS No.: 86701-33-9
• Molecular Formula: C27H44O4
• Molecular Weight: 432.6359
• DSSTox Substance ID: DTXSID201099678
• Wikidata: Q27162960
• Metabolomics Workbench ID: 35841
• ChEMBL ID: CHEMBL3542380
• Mol file: 86701-33-9.mol

Synonyms:1,23,25-trihydroxycholecalciferol;1,23,25-trihydroxyvitamin D3

Chemical Property of 1alpha,23(S),25-trihydroxyvitamin D3

Chemical Property:

• Vapor Pressure: 1.81E-17mmHg at 25°C
• Boiling Point: 610.7°Cat760mmHg
• Flash Point: 260°C
• Density: 1.1g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 432.32395988
• Heavy Atom Count: 31
• Complexity: 721

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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