ChemSpider 2D Image | (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylate | C17H21O10

(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylate

  • Molecular FormulaC17H21O10
  • Average mass385.343 Da
  • Monoisotopic mass385.114014 Da
  • ChemSpider ID57558117

  • Charge - Charge

    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

(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylat [German] [ACD/IUPAC Name]
(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylate [ACD/IUPAC Name]
(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-diméthoxyphényl]acrylate [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, ion(1-), (2E)- [ACD/Index Name]
(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]prop-2-enoate
29881-39-8 [RN]
4-O-(β-D-glucopyranosyl)-(2E)-sinapate
4-O-(β-D-glucosyl)-(2E)-sinapate
4-O-(β-D-glucosyl)-trans-sinapate
4-O-β-D-glucosyl-trans-sinapate
More...
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-O-beta-D-glucosyl-trans-sinapic acid. The major species at pH 7.3. ChEBI CHEBI:141763

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

Density:
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:
Molar Refractivity:
#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): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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