ChemSpider 2D Image | 7-Hydroxy-2-oxo-2H-chromen-6-yl 6-O-[4-(beta-D-glucopyranosyloxy)-3-methoxybenzoyl]-beta-D-glucopyranoside | C29H32O17

7-Hydroxy-2-oxo-2H-chromen-6-yl 6-O-[4-(β-D-glucopyranosyloxy)-3-methoxybenzoyl]-β-D-glucopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID17613849

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 6-[[6-O-[4-(β-D-glucopyranosyloxy)-3-methoxybenzoyl]-β-D-glucopyranosyl]oxy]-7-hydroxy- [ACD/Index Name]
6-O-[4-(β-D-Glucopyranosyloxy)-3-méthoxybenzoyl]-β-D-glucopyranoside de 7-hydroxy-2-oxo-2H-chromén-6-yle [French] [ACD/IUPAC Name]
7-Hydroxy-2-oxo-2H-chromen-6-yl 6-O-[4-(β-D-glucopyranosyloxy)-3-methoxybenzoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-oxo-2H-chromen-6-yl-6-O-[4-(β-D-glucopyranosyloxy)-3-methoxybenzoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-[6-(4-O-β-D-glucopyranosyloxy-3-methoxybenzoyl)]-O-β-D-glucopyranosyloxy-7-hydroxycoumarin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 969.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 315.6±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 261 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 87.1±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

Click to predict properties on the Chemicalize site


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