ChemSpider 2D Image | (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl beta-D-glucopyranosiduronic acid | C16H28O7

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H28O7
  • Average mass332.389 Da
  • Monoisotopic mass332.183502 Da
  • ChemSpider ID57530406

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl [ACD/Index Name]
(1S,2R,5S)-(+)-Menthol β-D-Glucuronide
(1S,2R,5S)-(+)-Menthol β-D-Glucuronide
(1S,2R,5S)-5-Methyl-2-(propan-2-yl)cyclohexyl β-D-glucopyranosiduronic acid
114127-73-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 184.5±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 259.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement