ChemSpider 2D Image | MFCD24849323 | C22H22O11

MFCD24849323

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID21615419
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4-(5,7-Dihydroxy-6-methoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-(5,7-Dihydroxy-6-methoxy-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]-5,7-dihydroxy-6-methoxy- [ACD/Index Name]
Hispidulin 4'-glucoside
MFCD24849323
β-D-Glucopyranoside de 4-(5,7-dihydroxy-6-méthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 280.4±26.4 °C
Index of Refraction: 1.695
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.25
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 175 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

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