ChemSpider 2D Image | Pungenin | C14H18O8

Pungenin

  • Molecular FormulaC14H18O8
  • Average mass314.288 Da
  • Monoisotopic mass314.100159 Da
  • ChemSpider ID24669457

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]ethanone
55483-00-6 [RN]
5-Acetyl-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-Acetyl-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ethanone, 1-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]- [ACD/Index Name]
Pungenin [Wiki]
β-D-Glucopyranoside de 5-acétyl-2-hydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 229.3±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.52
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 137 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


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