ChemSpider 2D Image | 4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl beta-L-glucopyranoside | C21H22O10

4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-L-glucopyranoside

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID82965478

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-L-glucopyranoside [ACD/IUPAC Name]
4-[(2R)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-L-glucopyranosyloxy)phenyl]-2,3-dihydro-5,7-dihydroxy-, (2R)- [ACD/Index Name]
β-L-Glucopyranoside de 4-[(2R)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC 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: 780.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 276.9±26.4 °C
Index of Refraction: 1.691
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 65.59
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.32
Polar Surface Area: 166 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

Click to predict properties on the Chemicalize site


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