ChemSpider 2D Image | 1-Benzyl 2-methyl (4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate | C14H17NO5

1-Benzyl 2-methyl (4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC14H17NO5
  • Average mass279.289 Da
  • Monoisotopic mass279.110687 Da
  • ChemSpider ID110823004

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-4-Hydroxy-1,2-pyrrolidinedicarboxylate de 1-benzyle et de 2-méthyle [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (4R)- [ACD/Index Name]
1-Benzyl 2-methyl (4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-2-methyl-(4R)-4-hydroxy-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.5±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 151.77
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.82
ACD/KOC (pH 7.4): 151.77
Polar Surface Area: 76 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 212.7±3.0 cm3

Click to predict properties on the Chemicalize site


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