ChemSpider 2D Image | ACITRETIN-D3 | C21H23D3O3

ACITRETIN-D3

  • Molecular FormulaC21H23D3O3
  • Average mass329.448 Da
  • Monoisotopic mass329.207031 Da
  • ChemSpider ID48057604

  • 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

(2E,4E,6E,8E)-3,7-Dimethyl-9-{2,3,6-trimethyl-4-[(2H3)methyloxy]phenyl}-2,4,6,8-nonatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6E,8E)-3,7-Dimethyl-9-{2,3,6-trimethyl-4-[(2H3)methyloxy]phenyl}-2,4,6,8-nonatetraensäure [German] [ACD/IUPAC Name]
1185241-03-5 [RN]
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-[2,3,6-trimethyl-4-(methyl-d3-oxy)phenyl]-, (2E,4E,6E,8E)- [ACD/Index Name]
Acide (2E,4E,6E,8E)-3,7-diméthyl-9-{2,3,6-triméthyl-4-[(2H3)méthyloxy]phényl}-2,4,6,8-nonatétraénoïque [French] [ACD/IUPAC Name]
ACITRETIN-D3
(2E,4E,6E,8E)-3,7-dimethyl-9-[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]nona-2,4,6,8-tetraenoic acid
13-?cis Acitretin D3
13-CIS-ACITRETIN-D3
MFCD09839866

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 521.3±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±3.0 kJ/mol
    Flash Point: 180.3±20.3 °C
    Index of Refraction: 1.570
    Molar Refractivity: 101.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.73
    ACD/LogD (pH 5.5): 4.51
    ACD/BCF (pH 5.5): 982.46
    ACD/KOC (pH 5.5): 2769.54
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 15.59
    ACD/KOC (pH 7.4): 43.96
    Polar Surface Area: 47 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 310.4±3.0 cm3

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