ChemSpider 2D Image | 4-Hydroxy-3,3,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]cyclohexyl beta-D-glucopyranoside | C19H32O8

4-Hydroxy-3,3,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]cyclohexyl β-D-glucopyranoside

  • Molecular FormulaC19H32O8
  • Average mass388.453 Da
  • Monoisotopic mass388.209717 Da
  • ChemSpider ID22943399
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres


More details:






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

3-Buten-2-one, 4-[4-(β-D-glucopyranosyloxy)-1-hydroxy-2,2,6-trimethylcyclohexyl]-, (3E)- [ACD/Index Name]
4-Hydroxy-3,3,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]cyclohexyl β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-3,3,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]cyclohexyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-hydroxy-3,3,5-triméthyl-4-[(1E)-3-oxo-1-butén-1-yl]cyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 200.2±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.94
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.94
Polar Surface Area: 137 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 298.1±5.0 cm3

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