ChemSpider 2D Image | Methyl N-(tert-butoxycarbonyl)-5-hydroxy-D-tryptophanate | C17H22N2O5

Methyl N-(tert-butoxycarbonyl)-5-hydroxy-D-tryptophanate

  • Molecular FormulaC17H22N2O5
  • Average mass334.367 Da
  • Monoisotopic mass334.152863 Da
  • ChemSpider ID24605460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5-Hydroxy-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-tryptophanate de méthyle [French] [ACD/IUPAC Name]
D-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-5-hydroxy-, methyl ester [ACD/Index Name]
Methyl 5-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanate [ACD/IUPAC Name]
Methyl N-(tert-butoxycarbonyl)-5-hydroxy-D-tryptophanate
Methyl-5-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanat [German] [ACD/IUPAC Name]
(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(5-hydroxy-1H-indol-3-yl)propanoate
(R)-N-Boc-5-Hydroxy-Trp-OMe
[1234880-33-1]
1234880-33-1 [RN]
atoms 25 bonds 26
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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: 555.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.60
ACD/KOC (pH 5.5): 527.50
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.51
ACD/KOC (pH 7.4): 526.46
Polar Surface Area: 101 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 264.9±3.0 cm3

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