(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol

Base Information

• Chemical Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol
• CAS No.: 80463-20-3
• Molecular Formula: C27H44 O4
• Molecular Weight: 0
• Mol file: 80463-20-3.mol

Synonyms:23,24,25-trihydroxyvitamin D3

Chemical Property of (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol

Chemical Property:

• Vapor Pressure: 1.74E-17mmHg at 25°C
• Boiling Point: 611.1°C at 760 mmHg
• Flash Point: 260.2°C
• PSA: 80.92000
• Density: 1.1g/cm³
• LogP: 4.67550
• XLogP3: 4
• 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:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C(C(C)(C)O)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• Isomeric SMILES: C[C@H](CC(C(C(C)(C)O)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C