ChemSpider 2D Image | 2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,5,5-~2~H_4_)pyrrolidinecarboxylate | C9H13D4NO3

2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,5,5-2H4)pyrrolidinecarboxylate

  • Molecular FormulaC9H13D4NO3
  • Average mass191.261 Da
  • Monoisotopic mass191.145950 Da
  • ChemSpider ID107446782

  • 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

(3R)-3-Hydroxy-1-(2,2,5,5-2H4)pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidine-2,2,5,5-d4-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,5,5-2H4)pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-hydroxy-1-(2,2,5,5-2H4)pyrrolidincarboxylat [German] [ACD/IUPAC 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: 273.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.4±6.0 kJ/mol
Flash Point: 119.1±25.4 °C
Index of Refraction: 1.502
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 34.99
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 34.99
Polar Surface Area: 50 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 163.9±3.0 cm3

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