Isoporiolide

Base Information

• Chemical Name: Isoporiolide
• CAS No.: 39262-31-2
• Molecular Formula: C29H26 O12
• Molecular Weight: 566.51
• Wikidata: Q105375381
• Mol file: 39262-31-2.mol

Synonyms:Isoporiolide

Chemical Property of Isoporiolide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 963.6°Cat760mmHg
• Flash Point: 322.5°C
• PSA: 192.44000
• Density: 1.559g/cm³
• LogP: 1.84210
• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 566.14242626
• Heavy Atom Count: 41
• Complexity: 977

Purity/Quality:

99% ^*data from raw suppliers

ISOPORIOLIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C3C=C1OC4C(C(C(C(O4)COC(=O)C5=CC=CC(=C5O)C6=C(C=CC(=C6)C(O3)CC2=O)O)O)O)O)O
• Isomeric SMILES: CC1=C(C2=C3C=C1O[C@H]4C(C([C@@H](C(O4)COC(=O)C5=CC=CC(=C5O)C6=C(C=CC(=C6)C(O3)CC2=O)O)O)O)O)O