ChemSpider 2D Image | O~15~-(~2~H_31_)Hexadecanoylretinol | C36H29D31O2

O15-(2H31)Hexadecanoylretinol

  • Molecular FormulaC36H29D31O2
  • Average mass556.051 Da
  • Monoisotopic mass555.653931 Da
  • ChemSpider ID107434171
  • 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

O15-(2H31)Hexadecanoylretinol [German] [ACD/IUPAC Name]
O15-(2H31)Hexadecanoylretinol [ACD/IUPAC Name]
O15-(2H31)Hexadecanoylrétinol [French] [ACD/IUPAC Name]
Retinol, O15-(1-oxohexadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-d31)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 607.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 79.7±21.2 °C
Index of Refraction: 1.508
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 14.83
ACD/LogD (pH 5.5): 13.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 570.1±3.0 cm3

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