ChemSpider 2D Image | 2-[3,4-Dihydroxy(~2~H_3_)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-xylopyranoside | C20H15D3O11

2-[3,4-Dihydroxy(2H3)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-xylopyranoside

  • Molecular FormulaC20H15D3O11
  • Average mass437.369 Da
  • Monoisotopic mass437.103729 Da
  • ChemSpider ID58785046

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[3,4-Dihydroxy(2H3)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
2-[3,4-Dihydroxy(2H3)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4,5-dihydroxyphenyl-2,3,6-d3)-5,7-dihydroxy-3-(β-D-xylopyranosyloxy)- [ACD/Index Name]
β-D-Xylopyranoside de 2-[3,4-dihydroxy(2H3)phényl]-5,7-dihydroxy-4-oxo-4H-chromén-3-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: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 296.3±27.8 °C
Index of Refraction: 1.802
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 48.86
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 186 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 233.2±5.0 cm3

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