ChemSpider 2D Image | 2-O-beta-D-Glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranose | C22H30O14

2-O-β-D-Glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID114928727

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-β-D-Glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-méthoxyphényl)-2-propenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-O-β-D-glucopyranosyl-1-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 838.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 285.7±27.8 °C
Index of Refraction: 1.661
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 225 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 94.7±5.0 dyne/cm
Molar Volume: 318.1±5.0 cm3

Click to predict properties on the Chemicalize site


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