ChemSpider 2D Image | 3-Acetoxy-O~15~-acetyl(4,4,18,18,18-~2~H_5_)retinol | C24H29D5O4

3-Acetoxy-O15-acetyl(4,4,18,18,18-2H5)retinol

  • Molecular FormulaC24H29D5O4
  • Average mass391.555 Da
  • Monoisotopic mass391.277100 Da
  • ChemSpider ID48061367

  • 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

3-Acetoxy-O15-acetyl(4,4,18,18,18-2H5)retinol [German] [ACD/IUPAC Name]
3-Acetoxy-O15-acetyl(4,4,18,18,18-2H5)retinol [ACD/IUPAC Name]
3-Acétoxy-O15-acétyl(4,4,18,18,18-2H5)rétinol [French] [ACD/IUPAC Name]
Retinol-4,4,18,18,18-d5, O15-acetyl-3-(acetyloxy)- [ACD/Index Name]
[(2E,4E,6E,8E)-9-[4-acetyloxy-3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate
1346606-58-3 [RN]
rac all-trans 3-(acetyloxy) retinol-d5 acetate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 487.4±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 234.9±25.2 °C
    Index of Refraction: 1.514
    Molar Refractivity: 113.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.37
    ACD/LogD (pH 5.5): 6.10
    ACD/BCF (pH 5.5): 25576.14
    ACD/KOC (pH 5.5): 49740.88
    ACD/LogD (pH 7.4): 6.10
    ACD/BCF (pH 7.4): 25576.14
    ACD/KOC (pH 7.4): 49740.88
    Polar Surface Area: 53 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 37.2±5.0 dyne/cm
    Molar Volume: 376.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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