ChemSpider 2D Image | Boc-D-Hcys(Mbzl)-OH | C17H25NO4S

Boc-D-Hcys(Mbzl)-OH

  • Molecular FormulaC17H25NO4S
  • Average mass339.450 Da
  • Monoisotopic mass339.150421 Da
  • ChemSpider ID28537093

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-Methylphenyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-methionin [German] [ACD/IUPAC Name]
(4-Methylphenyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-methionine [ACD/IUPAC Name]
(4-Méthylphényl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-méthionine [French] [ACD/IUPAC Name]
214630-13-4 [RN]
Boc-D-Hcys(Mbzl)-OH
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(4-methylphenyl)methyl]thio]-, (2R)- [ACD/Index Name]
(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-{[(4-METHYLPHENYL)METHYL]SULFANYL}BUTANOIC ACID
(2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-4-{[(4-METHYLPHENYL)METHYL]SULFANYL}BUTANOIC ACID
(2R)-4-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
(R)-2-((tert-Butoxycarbonyl)amino)-4-((4-methylbenzyl)thio)butanoic acid
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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: 516.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.0±3.0 kJ/mol
    Flash Point: 266.2±30.1 °C
    Index of Refraction: 1.547
    Molar Refractivity: 92.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.29
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 2.26
    ACD/KOC (pH 5.5): 15.86
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 291.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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