ChemSpider 2D Image | 2,3-dihydroxybenzoic acid 3-O-beta-D-xyloside | C12H14O8

2,3-dihydroxybenzoic acid 3-O-β-D-xyloside

  • Molecular FormulaC12H14O8
  • Average mass286.235 Da
  • Monoisotopic mass286.068878 Da
  • ChemSpider ID58145861

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3-dihydroxybenzoic acid 3-O-β-D-xyloside
2-Hydroxy-3-(β-D-xylopyranosyloxy)benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-3-(β-D-xylopyranosyloxy)benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-3-(β-D-xylopyranosyloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-3-(β-D-xylopyranosyloxy)- [ACD/Index Name]
2,3-DHBA 3-O-Xyl

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

Density: 1.7±0.1 g/cm3
Boiling Point: 562.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 219.0±23.6 °C
Index of Refraction: 1.690
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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