ChemSpider 2D Image | (2R)-(~2~H_11_)Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid | C13H12D11NO4

(2R)-(2H11)Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

  • Molecular FormulaC13H12D11NO4
  • Average mass268.394 Da
  • Monoisotopic mass268.231750 Da
  • ChemSpider ID107441921

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-(2H11)Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
(2R)-(2H11)Cyclohexyl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-(2H11)cyclohexyl({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Cyclohexane-1,2,2,3,3,4,4,5,5,6,6-d11-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 407.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 200.5±24.0 °C
Index of Refraction: 1.490
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 12.47
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 231.6±3.0 cm3

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