ChemSpider 2D Image | 6-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C27H30O16

6-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID59760302

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6,7-bis(β-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)- [ACD/Index Name]
6-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
6-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 6-(β-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
1219001-04-3 [RN]
5,6,7,40-Tetrahydroxyisoflavone-6,7-di-o-b-D-glucopyranoside
5-hydroxy-3-(4-hydroxyphenyl)-6,7-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 994.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.0±3.0 kJ/mol
Flash Point: 329.2±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 105.1±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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