Huratoxin

Base Information

• Chemical Name: Huratoxin
• CAS No.: 33465-16-6
• Deprecated CAS: 12614-66-3
• Molecular Formula: C34H48 O8
• Molecular Weight: 584.74012
• DSSTox Substance ID: DTXSID601318664
• Nikkaji Number: J18.870K
• Wikidata: Q105298070
• ChEMBL ID: CHEMBL3741150
• Mol file: 33465-16-6.mol

Synonyms:huratoxin

Chemical Property of Huratoxin

Chemical Property:

• Vapor Pressure: 8.16E-23mmHg at 25°C
• Boiling Point: 702.5°Cat760mmHg
• Flash Point: 218.1°C
• PSA: 117.98000
• Density: 1.26g/cm³
• LogP: 4.42930
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 584.33491849
• Heavy Atom Count: 42
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(CC3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
• Isomeric SMILES: CCCCCCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO

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