ChemSpider 2D Image | 3,7-Dimethyl-6-octen-1-yl D-glucopyranosiduronic acid | C16H28O7

3,7-Dimethyl-6-octen-1-yl D-glucopyranosiduronic acid

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID94270012

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

3,7-Dimethyl-6-octen-1-yl D-glucopyranosiduronic acid [ACD/IUPAC Name]
3,7-Dimethyl-6-octen-1-yl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide D-glucopyranosiduronique de 3,7-diméthyl-6-octén-1-yle [French] [ACD/IUPAC Name]
D-Glucopyranosiduronic acid, 3,7-dimethyl-6-octen-1-yl [ACD/Index Name]
Citronellyl Glucuronide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.3±6.0 kJ/mol
Flash Point: 187.7±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 269.4±5.0 cm3

Click to predict properties on the Chemicalize site


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