Haemocorin

Base Information

• Chemical Name: Haemocorin
• CAS No.: 11034-94-9
• Deprecated CAS: 33404-39-6,20559-12-0
• Molecular Formula: C32H34 O14
• Molecular Weight: 642.604
• DSSTox Substance ID: DTXSID70149218
• Nikkaji Number: J2.430.636D
• Wikidata: Q27106820
• Metabolomics Workbench ID: 68289
• Mol file: 11034-94-9.mol

Synonyms:haemocorin;hemocorin

Chemical Property of Haemocorin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.744
• Boiling Point: 997°C at 760 mmHg
• Flash Point: 322.9°C
• Density: 1.65g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 642.19485575
• Heavy Atom Count: 46
• Complexity: 1080

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)O
• Isomeric SMILES: COC1=C(C2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

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