ChemSpider 2D Image | Hexyl N~2~-[(benzyloxy)carbonyl]-N-[2-(1-benzyl-4-piperidinyl)ethyl]-L-glutaminate | C33H47N3O5

Hexyl N2-[(benzyloxy)carbonyl]-N-[2-(1-benzyl-4-piperidinyl)ethyl]-L-glutaminate

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID24661290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1161426-64-7 [RN]
Hexyl N2-[(benzyloxy)carbonyl]-N-[2-(1-benzyl-4-piperidinyl)ethyl]-L-glutaminate [ACD/IUPAC Name]
Hexyl-N2-[(benzyloxy)carbonyl]-N-[2-(1-benzyl-4-piperidinyl)ethyl]-L-glutaminat [German] [ACD/IUPAC Name]
L-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-, hexyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[2-(1-benzyl-4-pipéridinyl)éthyl]-L-glutaminate d'hexyle [French] [ACD/IUPAC Name]
N2-[(Phenylmethoxy)carbonyl]-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-L-glutamine hexyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 732.3±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: 396.7±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 55.43
ACD/KOC (pH 5.5): 91.78
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 1544.44
ACD/KOC (pH 7.4): 2557.44
Polar Surface Area: 97 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 510.8±3.0 cm3

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