ChemSpider 2D Image | (4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline | C15H26N2O6

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline

  • Molecular FormulaC15H26N2O6
  • Average mass330.377 Da
  • Monoisotopic mass330.179077 Da
  • ChemSpider ID19011041

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-prolin [German] [ACD/IUPAC Name]
(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-proline [ACD/IUPAC Name]
(4S)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-D-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (2R,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: 474.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 240.6±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 274.0±5.0 cm3

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