ChemSpider 2D Image | 4-Nitrobenzyl N-[4-(adamantan-1-yl)benzoyl]phenylalaninate | C33H34N2O5

4-Nitrobenzyl N-[4-(adamantan-1-yl)benzoyl]phenylalaninate

  • Molecular FormulaC33H34N2O5
  • Average mass538.633 Da
  • Monoisotopic mass538.246765 Da
  • ChemSpider ID3551817

More details:

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

(4-nitrophenyl)methyl 2-{[4-(adamantan-1-yl)phenyl]formamido}-3-phenylpropanoate
4-Nitrobenzyl N-[4-(adamantan-1-yl)benzoyl]phenylalaninate [ACD/IUPAC Name]
4-Nitrobenzyl-N-[4-(adamantan-1-yl)benzoyl]phenylalaninat [German] [ACD/IUPAC Name]
N-[4-(Adamantan-1-yl)benzoyl]phénylalaninate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
Phenylalanine, N-(4-tricyclo[3.3.1.13,7]dec-1-ylbenzoyl)-, (4-nitrophenyl)methyl ester [ACD/Index Name]
2-(4-Adamantan-1-yl-benzoylamino)-3-phenyl-propionic acid 4-nitro-benzyl ester
4-nitrobenzyl N-{[4-(tricyclo[3.3.1.13,7]dec-1-yl)phenyl]carbonyl}phenylalaninate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 181832.78
ACD/KOC (pH 5.5): 202511.38
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 181832.58
ACD/KOC (pH 7.4): 202511.14
Polar Surface Area: 101 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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