ChemSpider 2D Image | O~15~-[(3,3,3-~2~H_3_)Propanoyl]retinol | C23H31D3O2

O15-[(3,3,3-2H3)Propanoyl]retinol

  • Molecular FormulaC23H31D3O2
  • Average mass345.533 Da
  • Monoisotopic mass345.274719 Da
  • ChemSpider ID48063497

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

O15-[(3,3,3-2H3)Propanoyl]retinol [German] [ACD/IUPAC Name]
O15-[(3,3,3-2H3)Propanoyl]retinol [ACD/IUPAC Name]
O15-[(3,3,3-2H3)Propanoyl]rétinol [French] [ACD/IUPAC Name]
Retinol, O15-(1-oxopropyl-3,3,3-d3)- [ACD/Index Name]
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 3,3,3-trideuteriopropanoate
1795139-60-4 [RN]
retinyl propionate-d3

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 453.7±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 122.7±18.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 109.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 7.93
    ACD/LogD (pH 5.5): 7.05
    ACD/BCF (pH 5.5): 134544.58
    ACD/KOC (pH 5.5): 163237.55
    ACD/LogD (pH 7.4): 7.05
    ACD/BCF (pH 7.4): 134544.58
    ACD/KOC (pH 7.4): 163237.55
    Polar Surface Area: 26 Å2
    Polarizability: 43.5±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 355.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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