ChemSpider 2D Image | Bis(2-methyl-2-propanyl) {(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl}malonate | C26H38N2O9

Bis(2-methyl-2-propanyl) {(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl}malonate

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID164355

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-[(2-éthoxy-2-oxoéthyl)amino]-3-oxopropyl}malonate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) {(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl}malonate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-{(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl}malonat [German] [ACD/IUPAC Name]
1,3-DI-TERT-BUTYL 2-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-2-[(2-ETHOXY-2-OXOETHYL)CARBAMOYL]ETHYL]PROPANEDIOATE
56926-93-3 [RN]
Cdbcggee
Glycine, N-(4-((1,1-dimethylethoxy)carbonyl)-N-((phenylmethxy)carbonyl)-DL-α-glutamyl)-, 5-(1,1-dimethylethyl) 1-ethyl ester
N-Carbobenzoxy-(γ,γ'-di-tert-butyl)-γ-carboxyglutamylglycine ethyl ester
Z-Gla(O-tbu)(2)-glyoet

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.0±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1151.06
ACD/KOC (pH 5.5): 5404.21
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1149.97
ACD/KOC (pH 7.4): 5399.10
Polar Surface Area: 146 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 448.9±3.0 cm3

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