Kakkalide

Base Information

• Chemical Name: Kakkalide
• CAS No.: 58274-56-9
• Molecular Formula: C28H32 O15
• Molecular Weight: 608.54
• DSSTox Substance ID: DTXSID10207003
• Nikkaji Number: J871.697H
• Wikidata: Q83080899
• Mol file: 58274-56-9.mol

Synonyms:kakkalide

Chemical Property of Kakkalide

Chemical Property:

• Vapor Pressure: 4.92E-35mmHg at 25°C
• Melting Point: 250-252 °C
• Boiling Point: 902°Cat760mmHg
• PKA: 6.08±0.20(Predicted)
• Flash Point: 296.9°C
• PSA: 227.20000
• Density: 1.64g/cm³
• LogP: -1.17520
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 608.17412031
• Heavy Atom Count: 43
• Complexity: 972

Purity/Quality:

99% ^*data from raw suppliers

Kakkalide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O
• Isomeric SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O