ChemSpider 2D Image | 4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate | C22H24N2O8

4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID28536313
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-1-(4-nitrophenyl)-N-[(benzyloxy)carbonyl]-L-aspartat [German] [ACD/IUPAC Name]
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-aspartate de 4-(2-méthyl-2-propanyle) et de 1-(4-nitrophényle) [French] [ACD/IUPAC Name]
(S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinate
(S)-4-tert-Butyl 1-(4-nitrophenyl)-2-(((benzyloxy)carbonyl)amino)succinate
(S)-4-tert-Butyl1-(4-nitrophenyl)2-(((benzyloxy)carbonyl)amino)succinate
[17543-17-8]
17543-17-8 [RN]
1-TERT-BUTYL 4-NITROPHENYL (3S)-3-{[(BENZYLOXY)CARBONYL]AMINO}BUTANEDIOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 609.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2063.46
ACD/KOC (pH 5.5): 8206.94
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2059.31
ACD/KOC (pH 7.4): 8190.43
Polar Surface Area: 137 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

Click to predict properties on the Chemicalize site






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