ChemSpider 2D Image | (13cis)-O~15~-Ethyl(4,4,18,18,18-~2~H_5_)retinoic acid | C22H27D5O2

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

  • Molecular FormulaC22H27D5O2
  • Average mass333.519 Da
  • Monoisotopic mass333.271606 Da
  • ChemSpider ID58794708

  • 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-Ethyl(4,4,18,18,18-2H5)retinoic acid [ACD/IUPAC Name]
(13cis)-O15-Éthyl(4,4,18,18,18-2H5)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid-4,4,18,18,18-d5, O15-ethyl-, (13cis)- [ACD/Index Name]
78995-96-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 439.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 236.7±11.2 °C
Index of Refraction: 1.532
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82381.85
ACD/KOC (pH 5.5): 114903.25
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82381.85
ACD/KOC (pH 7.4): 114903.25
Polar Surface Area: 26 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 339.0±3.0 cm3

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