ChemSpider 2D Image | 4-[7-(beta-D-Allopyranosyloxy)-4-oxo-4H-chromen-3-yl]phenyl beta-D-allopyranoside | C27H30O14

4-[7-(β-D-Allopyranosyloxy)-4-oxo-4H-chromen-3-yl]phenyl β-D-allopyranoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID149754
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4-[7-(β-D-Allopyranosyloxy)-4-oxo-4H-chromen-3-yl]phenyl β-D-allopyranoside [ACD/IUPAC Name]
4-[7-(β-D-Allopyranosyloxy)-4-oxo-4H-chromen-3-yl]phenyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-allopyranosyloxy)-3-[4-(β-D-allopyranosyloxy)phenyl]- [ACD/Index Name]
β-D-Allopyranoside de 4-[7-(β-D-allopyranosyloxy)-4-oxo-4H-chromén-3-yl]phényle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(4-(β-D-glucopyranosyloxy)phenyl)-
53681-67-7 [RN]
Daidzein 4',7-diglucoside
Daidzein-4,7-diglucoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 903.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 300.9±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.20
Polar Surface Area: 225 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 90.8±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

Click to predict properties on the Chemicalize site






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