2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol

Base Information

• Chemical Name: 2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
• CAS No.: 42830-48-8
• Molecular Formula: C20H22O10
• Molecular Weight: 422.389
• NSC Number: 115491
• DSSTox Substance ID: DTXSID50962725
• Wikidata: Q72515877
• Mol file: 42830-48-8.mol

Synonyms:42830-48-8;Catechin 7-xyloside;2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol;(+)-catechin 7-O-beta-D-xyloside;Catechin-7-O-beta-D-xylopyranoside;NSC115491;(+)-Catechin 7-beta-D-xylopyranoside;(+)-Catechol 7-beta-D-xylopyranoside;NSC 115491;DTXSID50962725;AKOS032948518;NSC-115491;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl pentopyranoside

Chemical Property of 2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol

Chemical Property:

• Vapor Pressure: 3.42E-25mmHg at 25°C
• Boiling Point: 773.8°Cat760mmHg
• Flash Point: 421.8°C
• PSA: 169.30000
• Density: 1.674g/cm³
• LogP: -0.34170
• Storage Temp.: 2-8°C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 422.12129689
• Heavy Atom Count: 30
• Complexity: 578

Purity/Quality:

98%min ^*data from raw suppliers

β-D-Xylopyranoside,(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)O)O