ChemSpider 2D Image | 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-[(4-nitrobenzoyl)oxy]-1,2-pyrrolidinedicarboxylate | C18H22N2O8

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-[(4-nitrobenzoyl)oxy]-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC18H22N2O8
  • Average mass394.376 Da
  • Monoisotopic mass394.137604 Da
  • ChemSpider ID28537379

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-[(4-Nitrobenzoyl)oxy]-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[(4-nitrobenzoyl)oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-[(4-nitrobenzoyl)oxy]-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-[(4-nitrobenzoyl)oxy]-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-tert-Butyl 2-methyl 4-((4-nitrobenzoyl)oxy)pyrrolidine-1,2-dicarboxylate
(2S,4S)-1-tert-Butyl 2-methyl 4-((4-nitrobenzoyl)-oxy)pyrrolidine-1,2-dicarboxylate
[168264-25-3] [RN]
168264-25-3 [RN]
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-nitrobenzoyl)oxypyrrolidine-1,2-dicarboxylate
1-tert-Butyl 2-methyl (2S,4S)-4-[(4-nitrobenzoyl)oxy]pyrrolidine-1,2-dicarboxylate
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 513.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.83
ACD/KOC (pH 5.5): 1070.14
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.83
ACD/KOC (pH 7.4): 1070.14
Polar Surface Area: 128 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 296.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement