ChemSpider 2D Image | Diethyl 5-{[({[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}oxy)acetyl]amino}isophthalate | C26H28N2O9

Diethyl 5-{[({[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}oxy)acetyl]amino}isophthalate

  • Molecular FormulaC26H28N2O9
  • Average mass512.508 Da
  • Monoisotopic mass512.179504 Da
  • ChemSpider ID62566706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl]oxy]acetyl]amino]-, diethyl ester [ACD/Index Name]
5-{[2-({[(3S)-1-(2-Méthoxyphényl)-5-oxo-3-pyrrolidinyl]carbonyl}oxy)acétyl]amino}isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[({[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}oxy)acetyl]amino}isophthalate [ACD/IUPAC Name]
Diethyl-5-{[({[(3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}oxy)acetyl]amino}isophthalat [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: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.3±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.66
ACD/KOC (pH 5.5): 1401.40
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.65
ACD/KOC (pH 7.4): 1401.35
Polar Surface Area: 138 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 388.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement