ChemSpider 2D Image | 4-Acetyl-3,5-dihydroxyphenyl beta-L-glucopyranoside | C14H18O9

4-Acetyl-3,5-dihydroxyphenyl β-L-glucopyranoside

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID82964381

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Acetyl-3,5-dihydroxyphenyl β-L-glucopyranoside [ACD/IUPAC Name]
4-Acetyl-3,5-dihydroxyphenyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[4-(β-L-glucopyranosyloxy)-2,6-dihydroxyphenyl]- [ACD/Index Name]
β-L-Glucopyranoside de 4-acétyl-3,5-dihydroxyphényle [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: 647.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 243.4±25.0 °C
Index of Refraction: 1.661
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.62
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.26
Polar Surface Area: 157 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 204.9±3.0 cm3

Click to predict properties on the Chemicalize site


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