ChemSpider 2D Image | (2Z)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylic acid | C17H22O10

(2Z)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylic acid

  • Molecular FormulaC17H22O10
  • Average mass386.351 Da
  • Monoisotopic mass386.121307 Da
  • ChemSpider ID71298829

  • 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

(2Z)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylic acid [ACD/IUPAC Name]
(2Z)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[4-(β-D-glucopyranosyloxy)-3,5-diméthoxyphényl]acrylique [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 237.4±25.0 °C
Index of Refraction: 1.632
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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