ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside | C29H32O16

5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID17241821

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-chromen-7-yl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-6,8-diméthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4-oxo-4H-1-benzopyran-7-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 977.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.2±3.0 kJ/mol
Flash Point: 318.0±27.8 °C
Index of Refraction: 1.645
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 408.4±3.0 cm3

Click to predict properties on the Chemicalize site


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