ChemSpider 2D Image | Vitamin E acetate-(trimethyl-d9) | C31H43D9O3

Vitamin E acetate-(trimethyl-d9)

  • Molecular FormulaC31H43D9O3
  • Average mass481.798 Da
  • Monoisotopic mass481.448151 Da
  • ChemSpider ID35523330
  • defined stereocentres - 1 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-Methyl-5,7,8-tris[(2H3)methyl]-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate [ACD/IUPAC Name]
(2R)-2-Methyl-5,7,8-tris[(2H3)methyl]-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-5,7,8-tri(methyl-d3)-2-(4,8,12-trimethyltridecyl)-, acetate, (2R)- [ACD/Index Name]
2RS,4'RS,8'RS-O-Acetyl-α-tocopherol-d9 (5,7,8-tri(methyl-d3))
Acétate de (2R)-2-méthyl-5,7,8-tris[(2H3)méthyl]-2-(4,8,12-triméthyltridécyl)-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Vitamin E acetate-(trimethyl-d9)
Vitamin E-d9
α Tocopherol Acetate-d9 (All Racemic)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 485.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 235.6±24.7 °C
Index of Refraction: 1.488
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 12.07
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 502.0±3.0 cm3

Click to predict properties on the Chemicalize site






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