ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2S,3S,4R)-5-oxo-1,2-(3,4-~2~H_2_)pyrrolidinedicarboxylate | C14H21D2NO5

Bis(2-methyl-2-propanyl) (2S,3S,4R)-5-oxo-1,2-(3,4-2H2)pyrrolidinedicarboxylate

  • Molecular FormulaC14H21D2NO5
  • Average mass287.348 Da
  • Monoisotopic mass287.170166 Da
  • ChemSpider ID9262568

  • 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

(2S,3S,4R)-5-Oxo-1,2-(3,4-2H2)pyrrolidinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidine-3,4-d2-dicarboxylic acid, 5-oxo-, bis(1,1-dimethylethyl) ester, (2S,3S,4R)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (2S,3S,4R)-5-oxo-1,2-(3,4-2H2)pyrrolidinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2S,3S,4R)-5-oxo-1,2-(3,4-2H2)pyrrolidindicarboxylat [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: 390.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.1±25.9 °C
Index of Refraction: 1.485
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.12
ACD/KOC (pH 5.5): 219.68
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.12
ACD/KOC (pH 7.4): 219.68
Polar Surface Area: 73 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

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