ChemSpider 2D Image | (2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl 4-methylbenzenesulfonate | C15H23NO5S

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl 4-methylbenzenesulfonate

  • Molecular FormulaC15H23NO5S
  • Average mass329.412 Da
  • Monoisotopic mass329.129700 Da
  • ChemSpider ID30648535

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)propyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(R)-2-((tert-Butoxycarbonyl)amino)propyl 4-methylbenzenesulfonate
(R)-2-[(tert-butoxycarbonyl)amino]propyl toluene-4-sulphonate
352705-03-4 [RN]
84765-24-2 [RN]
Boc-D-Alaninyl tosylate
TERT-BUTYL N-[(2R)-1-[(4-METHYLBENZENESULFONYL)OXY]PROPAN-2-YL]CARBAMATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 467.4±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.5±24.0 °C
    Index of Refraction: 1.511
    Molar Refractivity: 84.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 81.25
    ACD/KOC (pH 5.5): 810.36
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 81.25
    ACD/KOC (pH 7.4): 810.32
    Polar Surface Area: 90 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 40.2±3.0 dyne/cm
    Molar Volume: 282.1±3.0 cm3

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