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

Base Information

• Chemical Name: 2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
• CAS No.: 123992-86-9
• Molecular Formula: C28H44 O4
• Molecular Weight: 444.64656
• Mol file: 123992-86-9.mol

Synonyms:24,25,28-(OH)3-vitamin D2;24,25,28-trihydroxyvitamin D2

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

Chemical Property:

• Vapor Pressure: 4.97E-18mmHg at 25°C
• Boiling Point: 621.2°C at 760 mmHg
• Flash Point: 262.8°C
• PSA: 80.92000
• Density: 1.11g/cm³
• LogP: 4.84320
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 444.32395988
• Heavy Atom Count: 32
• Complexity: 791

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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