ChemSpider 2D Image | (1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl beta-D-glucopyranoside | C16H26O6

(1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl β-D-glucopyranoside

  • Molecular FormulaC16H26O6
  • Average mass314.374 Da
  • Monoisotopic mass314.172943 Da
  • ChemSpider ID30776795

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1R,5S)-5-isopropényl-2-méthyl-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl [ACD/Index Name]
(+)-trans-Carveol glucoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1R,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-3,4,5-triol
114673-98-2 [RN]

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 253.5±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.54
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.54
Polar Surface Area: 99 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 249.4±5.0 cm3

Click to predict properties on the Chemicalize site


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