ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-trityl-L-histidyl-2-methylalanine | C34H38N4O5

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-trityl-L-histidyl-2-methylalanine

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID75537565

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Alanine, N-[(1,1-dimethylethoxy)carbonyl]-1-(triphenylmethyl)-L-histidyl-2-methyl- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-trityl-L-histidyl-2-methylalanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-trityl-L-histidyl-2-methylalanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-1-trityl-L-histidyl-2-méthylalanine [French] [ACD/IUPAC Name]
(S)-2-(2-((tert-Butoxycarbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propanamido)-2-methylpropanoic acid
2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanamido]-2-methylpropanoic acid
2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propanamido]-2-methylpropanoic acid
2061897-68-3 [RN]
Boc-His(trt)-aib-OH
Boc-L-His(TRT)-Aib-OH
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 789.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.2±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 167.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 13.58
ACD/KOC (pH 5.5): 46.62
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 3.74
Polar Surface Area: 123 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 497.1±7.0 cm3

Click to predict properties on the Chemicalize site


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