ChemSpider 2D Image | (3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)methyl beta-D-glucopyranoside | C16H28O7

(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)methyl β-D-glucopyranoside

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID65061294

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)methyl β-D-glucopyranoside [ACD/IUPAC Name]
(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3-hydroxy-2,6,6-triméthyl-1-cyclohexén-1-yl)méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)methyl [ACD/Index 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: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.48
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.48
Polar Surface Area: 120 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 251.3±5.0 cm3

Click to predict properties on the Chemicalize site


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