7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Base Information

• Chemical Name: 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• CAS No.: 53681-67-7
• Molecular Formula: C27H30O14
• Molecular Weight: 578.52
• DSSTox Substance ID: DTXSID00201934
• Nikkaji Number: J1.057.886H
• Wikidata: Q83075170
• Mol file: 53681-67-7.mol

Synonyms:daidzein-4,7-diglucoside

Chemical Property of 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Chemical Property:

• Vapor Pressure: 4.05E-35mmHg at 25°C
• Melting Point: 241 °C
• Boiling Point: 903°Cat760mmHg
• PKA: 12.71±0.70(Predicted)
• Flash Point: 300.9°C
• PSA: 228.97000
• Density: 1.636g/cm³
• LogP: -2.18260
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 578.16355563
• Heavy Atom Count: 41
• Complexity: 924

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Daidzein 7,4'-di-O-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O