ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}triphenyl-D-methionine | C28H31NO4S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}triphenyl-D-methionine

  • Molecular FormulaC28H31NO4S
  • Average mass477.615 Da
  • Monoisotopic mass477.197388 Da
  • ChemSpider ID28537092
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(triphenylmethyl)thio]-, (2R)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}triphenyl-D-methionin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}triphenyl-D-methionine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}triphényl-D-méthionine [French] [ACD/IUPAC Name]
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-tritylsulfanylbutanoic acid
(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-[(TRIPHENYLMETHYL)SULFANYL]BUTANOIC ACID
(2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-4-[(TRIPHENYLMETHYL)SULFANYL]BUTANOIC ACID
(R)-2-((tert-Butoxycarbonyl)amino)-4-(tritylthio)butanoic acid
[1301706-43-3] [RN]
1301706-43-3 [RN]
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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: 630.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±3.0 kJ/mol
    Flash Point: 335.0±31.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 136.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 7.22
    ACD/LogD (pH 5.5): 4.33
    ACD/BCF (pH 5.5): 379.64
    ACD/KOC (pH 5.5): 658.37
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 11.55
    ACD/KOC (pH 7.4): 20.02
    Polar Surface Area: 101 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 402.7±3.0 cm3

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