ChemSpider 2D Image | (1R,2S,4R,5S)-3,8-Dioxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarboxylic acid | C8H8O6

(1R,2S,4R,5S)-3,8-Dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid

  • Molecular FormulaC8H8O6
  • Average mass200.145 Da
  • Monoisotopic mass200.032089 Da
  • ChemSpider ID22845694

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,4R,5S)-3,8-Dioxatricyclo[3.2.1.02,4]octan-6,7-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,4R,5S)-3,8-Dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid [ACD/IUPAC Name]
3,8-Dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid, (1R,2S,4R,5S)- [ACD/Index Name]
Acide (1R,2S,4R,5S)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylique [French] [ACD/IUPAC Name]
(1R,2S,4R,5S)-3,8-dioxatricyclo[3.2.1.0(2,4)]octane-6,7-dicarboxylic acid
3,8-Dioxa-tricyclo[3.2.1.0*2,4*]octane-6,7-dicarboxylic acid
3,8-DIOXATRICYCLO[3.2.1.02,4]OCTANE-6,7-DICARBOXYLIC ACID,(1R,2S,4R,5S)-REL-
308831-33-6 [RN]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 512.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 85.8±6.0 kJ/mol
    Flash Point: 219.6±23.6 °C
    Index of Refraction: 1.627
    Molar Refractivity: 39.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): -2.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 84.0±3.0 dyne/cm
    Molar Volume: 110.6±3.0 cm3

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