ChemSpider 2D Image | 6-O-beta-D-Glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranose | C32H38O17

6-O-β-D-Glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID59696166

  • 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

6-O-β-D-Glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1,2-bis-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1,2-Diferuloylgentiobiose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 936.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 296.2±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.68
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.56
Polar Surface Area: 261 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 441.3±5.0 cm3

Click to predict properties on the Chemicalize site


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