ChemSpider 2D Image | [4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-thiopyran-4-yl]acetic acid | C12H21NO4S

[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-thiopyran-4-yl]acetic acid

  • Molecular FormulaC12H21NO4S
  • Average mass275.364 Da
  • Monoisotopic mass275.119141 Da
  • ChemSpider ID21473203

More details:

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

[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-thiopyran-4-yl]acetic acid [ACD/IUPAC Name]
[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-thiopyran-4-yl]essigsäure [German] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro- [ACD/Index Name]
Acide [4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)tétrahydro-2H-thiopyrane-4-yl]acétique [French] [ACD/IUPAC Name]
(4-Boc-amino-tetrahydrothiopyran-4-yl)acetic acid
(4-Boc-amino-tetrahydrothiopyran-4-yl)-acetic acid
[4-Amino(tetrahydro-2H-thiopyran-4-yl)]acetic acid N-BOC protected
[4-Amino(tetrahydro-2H-thiopyran-4-yl)]acetic acid, N-BOC protected
[946761-08-6] [RN]
{4-[(TERT-BUTOXYCARBONYL)AMINO]THIAN-4-YL}ACETIC 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: 452.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±6.0 kJ/mol
    Flash Point: 227.3±26.8 °C
    Index of Refraction: 1.532
    Molar Refractivity: 70.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.93
    ACD/KOC (pH 5.5): 28.60
    ACD/LogD (pH 7.4): -0.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 48.2±5.0 dyne/cm
    Molar Volume: 228.5±5.0 cm3

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