ChemSpider 2D Image | 4-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylate | C28H34O14

4-(β-D-Glucopyranosyloxy)benzyl (2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylate

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID71041965

  • 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

(2E)-3-[4-(β-D-Glucopyranosyloxy)phényl]acrylate de 4-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)phenyl]-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester, (2E)- [ACD/Index Name]
4-(β-D-Glucopyranosyloxy)benzyl (2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylate [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)benzyl-(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]acrylat [German] [ACD/IUPAC Name]
[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
1435488-35-9 [RN]
Shancigusin I

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

Density: 1.5±0.1 g/cm3
Boiling Point: 888.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.12
Polar Surface Area: 225 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 385.3±3.0 cm3

Click to predict properties on the Chemicalize site


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