ChemSpider 2D Image | Methyl (2E)-3-(beta-D-glucopyranosyloxy)-2-butenoate | C11H18O8

Methyl (2E)-3-(β-D-glucopyranosyloxy)-2-butenoate

  • Molecular FormulaC11H18O8
  • Average mass278.256 Da
  • Monoisotopic mass278.100159 Da
  • ChemSpider ID21468801

  • 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-(β-D-Glucopyranosyloxy)-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-(β-D-glucopyranosyloxy)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-(β-D-glucopyranosyloxy)-2-butenoate [ACD/IUPAC Name]
Methyl-(2E)-3-(β-D-glucopyranosyloxy)-2-butenoat [German] [ACD/IUPAC Name]
55018-21-8 [RN]
TRANS-β-D-GLUCOPYRANOSYL METHYLACETOACETATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 199.3±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 126 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 193.7±5.0 cm3

Click to predict properties on the Chemicalize site


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