ChemSpider 2D Image | 1-O-[(2E)-3-(2-Hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranose | C15H18O8

1-O-[(2E)-3-(2-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranose

  • Molecular FormulaC15H18O8
  • Average mass326.299 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID22913130
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-O-[(2E)-3-(2-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2E)-3-(2-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E)-3-(2-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
trans-β-D-Glucosyl-2-hydroxycinnamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 593.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 221.6±23.6 °C
Index of Refraction: 1.653
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.77
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.45
Polar Surface Area: 137 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 211.4±5.0 cm3

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