ChemSpider 2D Image | (1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl alpha-L-idopyranuronate | C16H26O7

(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl α-L-idopyranuronate

  • Molecular FormulaC16H26O7
  • Average mass330.373 Da
  • Monoisotopic mass330.167847 Da
  • ChemSpider ID107449827

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl α-L-idopyranuronate [ACD/IUPAC Name]
(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-α-L-idopyranuronat [German] [ACD/IUPAC Name]
α-L-Idopyranuronate de (1S,4R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
α-L-Idopyranuronic acid, (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 161.9±22.2 °C
Index of Refraction: 1.577
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.34
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 58.34
Polar Surface Area: 116 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 240.1±5.0 cm3

Click to predict properties on the Chemicalize site


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