ChemSpider 2D Image | Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate | C23H28O11

Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate

  • Molecular FormulaC23H28O11
  • Average mass480.462 Da
  • Monoisotopic mass480.163147 Da
  • ChemSpider ID22913021

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4R,5R)-3,4-Dihydroxy-5-({6-O-[(2E)-3-phényl-2-propenoyl]-β-D-glucopyranosyl}oxy)-1-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)- [ACD/Index Name]
Methyl (3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranosyl}oxy)-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-(3R,4R,5R)-3,4-dihydroxy-5-({6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranosyl}oxy)-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 243.9±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.89
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.89
Polar Surface Area: 172 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

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