ChemSpider 2D Image | (1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl beta-D-glucopyranoside | C16H28O6

(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl β-D-glucopyranoside

  • Molecular FormulaC16H28O6
  • Average mass316.390 Da
  • Monoisotopic mass316.188599 Da
  • ChemSpider ID22913591

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,2S,4S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl [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: 466.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 235.9±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.16
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.16
Polar Surface Area: 99 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

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