ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl beta-L-glucopyranoside | C21H20O13

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl β-L-glucopyranoside

  • Molecular FormulaC21H20O13
  • Average mass480.376 Da
  • Monoisotopic mass480.090393 Da
  • ChemSpider ID62591315

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl β-L-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(β-L-glucopyranosyloxy)-3,5,7-trihydroxy- [ACD/Index Name]
β-L-Glucopyranoside de 2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 886.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 310.8±27.8 °C
Index of Refraction: 1.800
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 127.8±3.0 dyne/cm
Molar Volume: 255.1±3.0 cm3

Click to predict properties on the Chemicalize site


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