ChemSpider 2D Image | MFCD27664857 | C11H19NO5S

MFCD27664857

  • Molecular FormulaC11H19NO5S
  • Average mass277.337 Da
  • Monoisotopic mass277.098389 Da
  • ChemSpider ID30507812

More details:

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

1453315-78-0 [RN]
2-Methyl-2-propanyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-hydroxy-5-thia-2-azaspiro[3.4]octan-2-carboxylat-5,5-dioxid [German] [ACD/IUPAC Name]
5,5-Dioxyde de 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
5-Thia-2-azaspiro[3.4]octane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester, 5,5-dioxide [ACD/Index Name]
MFCD27664857
tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
7-Hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylic acid-5,5-dioxide 1,1-dimethylethyl ester
S1(=O)(=O)C2(CN(C2)C(=O)OC(C)(C)C)CC(C1)O
t-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 481.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 86.0±6.0 kJ/mol
    Flash Point: 245.2±28.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 65.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.66
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.37
    ACD/LogD (pH 7.4): -0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.37
    Polar Surface Area: 92 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 55.9±5.0 dyne/cm
    Molar Volume: 201.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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