ChemSpider 2D Image | 4-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate | C29H36O15

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

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID71041964

  • 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)-3-méthoxyphényl]acrylate de 4-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-, [4-(β-D-glucopyranosyloxy)phenyl]methyl ester, (2E)- [ACD/Index Name]
4-(β-D-Glucopyranosyloxy)benzyl (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate [ACD/IUPAC Name]
4-(β-D-Glucopyranosyloxy)benzyl-(2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylat [German] [ACD/IUPAC Name]
[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
2292159-89-6 [RN]
Bletilloside A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 898.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 291.0±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 234 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

Click to predict properties on the Chemicalize site


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