(3r)-8-[(2r,3s)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol

Base Information

• Chemical Name: (3r)-8-[(2r,3s)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol
• CAS No.: 72800-72-7
• Molecular Formula: C₁₇H₂₄O₂
• Molecular Weight: 260.376
• DSSTox Substance ID: DTXSID40993604
• Nikkaji Number: J361.085C
• Wikidata: Q27135345
• Mol file: 72800-72-7.mol

Synonyms:panaxydol

Chemical Property of (3r)-8-[(2r,3s)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol

Chemical Property:

• Vapor Pressure: 5.6E-08mmHg at 25°C
• Boiling Point: 397.8°C at 760 mmHg
• PKA: 11.66±0.20(Predicted)
• Flash Point: 167.5°C
• PSA: 32.76000
• Density: 0.999g/cm³
• LogP: 3.05810
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 260.177630004
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

98%Min ^*data from raw suppliers

Panaxydol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1C(O1)CC#CC#CC(C=C)O
• Isomeric SMILES: CCCCCCC[C@H]1[C@H](O1)CC#CC#C[C@@H](C=C)O