Hydroxydocosanoic acid sophoroside

Base Information

• Chemical Name: Hydroxydocosanoic acid sophoroside
• CAS No.: 20246-59-7
• Molecular Formula: C38H68 O15
• Molecular Weight: 764.94
• DSSTox Substance ID: DTXSID90942369
• Nikkaji Number: J2.073.088I
• Wikidata: Q27104781
• Metabolomics Workbench ID: 5746
• Mol file: 20246-59-7.mol

Synonyms:13-((2'-O beta-D-glucopyranosyl beta-D-glucopyranosyl)oxy)docosanoic acid 6',6''-diacetate;hydroxydocosanoic acid sophoroside

Chemical Property of Hydroxydocosanoic acid sophoroside

Chemical Property:

• Vapor Pressure: 7.02E-34mmHg at 25°C
• Boiling Point: 853.1°Cat760mmHg
• Flash Point: 248.1°C
• PSA: 227.97000
• Density: 1.22g/cm³
• LogP: 3.65370
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 30
• Exact Mass: 764.45582146
• Heavy Atom Count: 53
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1C(C(C(C(O1)COC(=O)C)O)O)OC2C(C(C(C(O2)COC(=O)C)O)O)O
• Isomeric SMILES: CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O

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