Phylloflavan

Base Information

• Chemical Name: Phylloflavan
• CAS No.: 98570-83-3
• Molecular Formula: C26H26O10
• Molecular Weight: 498.4786
• UNII: 9T7A4KA6YL
• DSSTox Substance ID: DTXSID30243721
• Wikipedia: Phylloflavan
• Wikidata: Q7188825
• Metabolomics Workbench ID: 21939
• Mol file: 98570-83-3.mol

Synonyms:PHYLLOFLAVAN;98570-83-3;9T7A4KA6YL;Benzenepentanoic acid, beta,3,4-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (betaS)-;UNII-9T7A4KA6YL;NSC 607319;EX-A5757;SCHEMBL21802321;DTXSID30243721;CHEBI:179873;LMPK12020109;[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate;Q7188825;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl (betaS)-beta,3,4-trihydroxybenzenepentanoate;[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxy-pentanoate;Benzenepentanoic acid, .beta.,3,4-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (.beta.S)-

Chemical Property of Phylloflavan

Chemical Property:

• Vapor Pressure: 7.59E-32mmHg at 25°C
• Boiling Point: 864°Cat760mmHg
• Flash Point: 294.3°C
• PSA: 177.14000
• Density: 1.6g/cm³
• LogP: 2.89200
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 498.15259702
• Heavy Atom Count: 36
• Complexity: 721

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)CC(CCC4=CC(=C(C=C4)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C[C@H](CCC4=CC(=C(C=C4)O)O)O

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