ChemSpider 2D Image | 2,6-Bis[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]hexanoic acid | C24H26N2O6

2,6-Bis[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanoic acid

  • Molecular FormulaC24H26N2O6
  • Average mass438.473 Da
  • Monoisotopic mass438.179077 Da
  • ChemSpider ID22845712

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2,6-Bis[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanoic acid [ACD/IUPAC Name]
2,6-Bis[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexansäure [German] [ACD/IUPAC Name]
4,7-Methano-2H-isoindole-2-hexanoic acid, α-[(3aR,4R,7S,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-, (3aR,4R,7S,7aS)- [ACD/Index Name]
Acide 2,6-bis[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]hexanoïque [French] [ACD/IUPAC Name]
1214856-08-2 [RN]
2,6-bis((3aR,4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)hexanoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 746.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 118.4±6.0 kJ/mol
    Flash Point: 405.1±32.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 109.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.91
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.00
    ACD/LogD (pH 7.4): -2.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 64.5±3.0 dyne/cm
    Molar Volume: 305.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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