ChemSpider 2D Image | Dibenzyl 4-sulfanyl-1,2-pyrrolidinedicarboxylate | C20H21NO4S

Dibenzyl 4-sulfanyl-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC20H21NO4S
  • Average mass371.450 Da
  • Monoisotopic mass371.119141 Da
  • ChemSpider ID22217365

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 4-mercapto-, bis(phenylmethyl) ester [ACD/Index Name]
4-Sulfanyl-1,2-pyrrolidinedicarboxylate de dibenzyle [French] [ACD/IUPAC Name]
Dibenzyl 4-sulfanyl-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
Dibenzyl-4-sulfanyl-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-N-Cbz-4-mercaptopyrrolidine-2-carboxylic acid benzyl ester
1176446-09-5 [RN]
1274891-77-8 [RN]
MFCD03839833
MFCD08061145 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.8±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 418.26
ACD/KOC (pH 5.5): 2618.38
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 417.07
ACD/KOC (pH 7.4): 2610.93
Polar Surface Area: 95 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

Click to predict properties on the Chemicalize site


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