ChemSpider 2D Image | (2S)-5-(Benzyloxy)-2-([6-(benzylsulfanyl)hexyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid | C30H41NO6S

(2S)-5-(Benzyloxy)-2-([6-(benzylsulfanyl)hexyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID8920428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-(Benzyloxy)-2-([6-(benzylsulfanyl)hexyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid [ACD/IUPAC Name]
(2S)-5-(Benzyloxy)-2-([6-(benzylsulfanyl)hexyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (2S)-5-(benzyloxy)-2-([6-(benzylsulfanyl)hexyl]{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-N-[6-[(phenylmethyl)thio]hexyl]-, 5-(phenylmethyl) ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 1040.74
ACD/KOC (pH 5.5): 1282.17
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 35.59
ACD/KOC (pH 7.4): 43.85
Polar Surface Area: 118 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 470.3±3.0 cm3

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