7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-2,7-dihydronaphtho[2,3-b]oxirene-2,7-diol

Base Information

• Chemical Name: 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-2,7-dihydronaphtho[2,3-b]oxirene-2,7-diol
• CAS No.: 81382-12-9
• Molecular Formula: C31H50 O3
• Molecular Weight: 0
• Metabolomics Workbench ID: 38492
• Mol file: 81382-12-9.mol

Synonyms:vitamin K-1 epoxide-1,4-diol;VK-1 ED

Chemical Property of 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-2,7-dihydronaphtho[2,3-b]oxirene-2,7-diol

Chemical Property:

• Vapor Pressure: 1.49E-14mmHg at 25°C
• Boiling Point: 585.5°C at 760 mmHg
• Flash Point: 307.9°C
• PSA: 52.99000
• Density: 1.026g/cm³
• LogP: 8.07020
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 470.37599545
• Heavy Atom Count: 34
• Complexity: 657

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCC12C(C3=CC=CC=C3C(C1(O2)C)O)O)C
• Isomeric SMILES: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(C3=CC=CC=C3C(C1(O2)C)O)O)/C