ChemSpider 2D Image | (4R,4aS,7aS)-6-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrothiopyrano[2,3-c]pyrrole-4-carboxylic acid 1,1-dioxide | C13H21NO6S

(4R,4aS,7aS)-6-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrothiopyrano[2,3-c]pyrrole-4-carboxylic acid 1,1-dioxide

  • Molecular FormulaC13H21NO6S
  • Average mass319.374 Da
  • Monoisotopic mass319.108948 Da
  • ChemSpider ID28600700

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4aS,7aS)-6-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrothiopyrano[2,3-c]pyrrol-4-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
(4R,4aS,7aS)-6-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrothiopyrano[2,3-c]pyrrole-4-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
1341035-88-8 [RN]
Acide (4R,4aS,7aS) 1,1-dioxyde de 6-{[(2-méthyl-2-propanyl)oxy]carbonyl}octahydrothiopyrano[2,3-c]pyrrole-4-carboxylique [French] [ACD/IUPAC Name]
Thiopyrano[2,3-c]pyrrole-4,6(2H)-dicarboxylic acid, hexahydro-, 6-(1,1-dimethylethyl) ester, 1,1-dioxide, (4R,4aS,7aS)- [ACD/Index Name]
Thiopyrano[2,3-c]pyrrole-4,6(2H)-dicarboxylic acid, hexahydro-, 6-(1,1-dimethylethyl) ester, 1,1-dioxide, (4R,4aS,7aS)-rel-
(4R,4aS,7aS)-6-(tert-butoxycarbonyl)octahydrothiopyrano[2,3-c]pyrrole-4-carboxylic acid 1,1-dioxide
(4R,4aS,7aS)-6-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-thiopyrano[2,3-c]pyrrole-4-carboxylic acid
1,1-Dioxo-octahydro-1
AM804902
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 540.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±6.0 kJ/mol
    Flash Point: 280.5±30.1 °C
    Index of Refraction: 1.537
    Molar Refractivity: 74.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.33
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.31
    ACD/LogD (pH 7.4): -2.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 237.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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