ChemSpider 2D Image | 2,7,8-Trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl beta-D-xylopyranoside | C19H14O12

2,7,8-Trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl β-D-xylopyranoside

  • Molecular FormulaC19H14O12
  • Average mass434.307 Da
  • Monoisotopic mass434.048523 Da
  • ChemSpider ID129242777

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7-trihydroxy-8-(β-D-xylopyranosyloxy)- [ACD/Index Name]
2,7,8-Trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
2,7,8-Trihydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de 2,7,8-trihydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 937.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 337.9±27.8 °C
Index of Refraction: 1.834
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.91
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 137.5±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

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