ChemSpider 2D Image | 5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-beta-D-glucopyranoside | C26H32O11

5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranoside

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID22913426

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-7-[[6-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-β-D-glucopyranosyl]oxy]-2-methyl- [ACD/Index Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl-6-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-6-Hydroxy-2,6-diméthyl-2,7-octadienoyl]-β-D-glucopyranoside de 5-hydroxy-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 772.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 257.3±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 27.62
ACD/KOC (pH 5.5): 354.05
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 23.92
Polar Surface Area: 172 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

Click to predict properties on the Chemicalize site


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