ChemSpider 2D Image | (13cis)-O~15~-Methyl(4,4,18,18,18-~2~H_5_)retinoic acid | C21H25D5O2

(13cis)-O15-Methyl(4,4,18,18,18-2H5)retinoic acid

  • Molecular FormulaC21H25D5O2
  • Average mass319.492 Da
  • Monoisotopic mass319.255951 Da
  • ChemSpider ID48057965

  • 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

(13cis)-O15-Methyl(4,4,18,18,18-2H5)retinoic acid [ACD/IUPAC Name]
(13cis)-O15-Méthyl(4,4,18,18,18-2H5)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid-4,4,18,18,18-d5, O15-methyl-, (13cis)- [ACD/Index Name]
1331666-29-5 [RN]
13-cisretinoicacid-d5methylester
914224-00-3 [RN]
methyl (2Z,4E,6E,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 426.1±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 229.8±11.2 °C
    Index of Refraction: 1.535
    Molar Refractivity: 100.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.34
    ACD/LogD (pH 5.5): 6.45
    ACD/BCF (pH 5.5): 47048.88
    ACD/KOC (pH 5.5): 76947.28
    ACD/LogD (pH 7.4): 6.45
    ACD/BCF (pH 7.4): 47048.88
    ACD/KOC (pH 7.4): 76947.28
    Polar Surface Area: 26 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 322.5±3.0 cm3

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