ChemSpider 2D Image | 4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl beta-D-glucopyranoside | C21H20O9

4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranoside

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID25030842

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(7-Hydroxy-4-oxo-4H-chromen-3-yl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[4-(β-D-glucopyranosyloxy)phenyl]-7-hydroxy- [ACD/Index Name]
β-D-Glucopyranoside de 4-(7-hydroxy-4-oxo-4H-chromén-3-yl)phényle [French] [ACD/IUPAC Name]
4-(4-Oxo-7-hydroxy-4H-1-benzopyran-3-yl)phenyl β-D-glucopyranoside
58970-69-7 [RN]
7-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Daidzein 4'-O-glucoside
Daidzein-4'-glucoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 729.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 260.4±26.4 °C
Index of Refraction: 1.695
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.09
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 146 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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