ChemSpider 2D Image | (9cis)-O~15~-Acetyl(4,4,18,18,18-~2~H_5_)retinol | C22H27D5O2

(9cis)-O15-Acetyl(4,4,18,18,18-2H5)retinol

  • Molecular FormulaC22H27D5O2
  • Average mass333.519 Da
  • Monoisotopic mass333.271606 Da
  • ChemSpider ID48063314

  • 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

(9cis)-O15-Acetyl(4,4,18,18,18-2H5)retinol [German] [ACD/IUPAC Name]
(9cis)-O15-Acetyl(4,4,18,18,18-2H5)retinol [ACD/IUPAC Name]
(9cis)-O15-Acétyl(4,4,18,18,18-2H5)rétinol [French] [ACD/IUPAC Name]
Retinol-4,4,18,18,18-d5, O15-acetyl-, (9cis)- [ACD/Index Name]
[(2E,4E,6Z,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate
1217219-62-9 [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: 440.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 124.8±18.5 °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: 7.39
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71179.90
ACD/KOC (pH 5.5): 103489.87
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71179.90
ACD/KOC (pH 7.4): 103489.87
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

Click to predict properties on the Chemicalize site


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