ChemSpider 2D Image | Boc-Trp-NH2 | C16H21N3O3

Boc-Trp-NH2

  • Molecular FormulaC16H21N3O3
  • Average mass303.356 Da
  • Monoisotopic mass303.158295 Da
  • ChemSpider ID18909748

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

62549-92-2 [RN]
Boc-Trp-NH2
Carbamic acid, N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Nα-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
Nα-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
(S)-tert-Butyl (1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamate
(S)-tert-Butyl(1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamate
[62549-92-2] [RN]
62559-79-9 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 573.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.0±3.0 kJ/mol
    Flash Point: 300.9±30.1 °C
    Index of Refraction: 1.601
    Molar Refractivity: 84.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 23.22
    ACD/KOC (pH 5.5): 330.61
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.22
    ACD/KOC (pH 7.4): 330.52
    Polar Surface Area: 97 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 247.3±3.0 cm3

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