ChemSpider 2D Image | 4-(5-Hydroxy-3,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranoside | C24H26O12

4-(5-Hydroxy-3,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID65791437

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(5-Hydroxy-3,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(5-Hydroxy-3,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-3,6,7-trimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 4-(5-hydroxy-3,6,7-triméthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
14801-84-4 [RN]
pendulin
penduline

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

Density: 1.6±0.1 g/cm3
Boiling Point: 791.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 270.6±26.4 °C
Index of Refraction: 1.672
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.36
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 174 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

Click to predict properties on the Chemicalize site


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