ChemSpider 2D Image | (4Z)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-ylidene)-2-butanyl beta-D-glucopyranoside | C19H30O7

(4Z)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-ylidene)-2-butanyl β-D-glucopyranoside

  • Molecular FormulaC19H30O7
  • Average mass370.437 Da
  • Monoisotopic mass370.199158 Da
  • ChemSpider ID31141822

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4Z)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-yliden)-2-butanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(4Z)-4-(2,6,6-Trimethyl-4-oxo-2-cyclohexen-1-ylidene)-2-butanyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butylidene]-3,5,5-trimethyl-, (4Z)- [ACD/Index Name]
β-D-Glucopyranoside de (4Z)-4-(2,6,6-triméthyl-4-oxo-2-cyclohexén-1-ylidène)-2-butanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 196.6±23.6 °C
Index of Refraction: 1.562
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.14
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.14
Polar Surface Area: 116 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 292.8±5.0 cm3

Click to predict properties on the Chemicalize site


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