ChemSpider 2D Image | (4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-(4-~2~H_1_)proline | C10H16DNO4

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-(4-2H1)proline

  • Molecular FormulaC10H16DNO4
  • Average mass216.252 Da
  • Monoisotopic mass216.122040 Da
  • ChemSpider ID30904189

  • 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

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-(4-2H1)prolin [German] [ACD/IUPAC Name]
(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-(4-2H1)proline [ACD/IUPAC Name]
(4S)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-(4-2H1)proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidine-4-d-dicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 157.7±25.9 °C
Index of Refraction: 1.503
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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