ChemSpider 2D Image | (2R)-2,8-Dimethyl-7-(~2~H_3_)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol | C28H45D3O2

(2R)-2,8-Dimethyl-7-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol

  • Molecular FormulaC28H45D3O2
  • Average mass419.698 Da
  • Monoisotopic mass419.384247 Da
  • ChemSpider ID9364403

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2,8-Dimethyl-7-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,8-Dimethyl-7-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2,8-Diméthyl-7-(2H3)méthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-7-(methyl-d3)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- [ACD/Index Name]
(±)-γ-Tocopherol-D3missing
842129-89-9 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 518.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 206.0±24.1 °C
Index of Refraction: 1.495
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 11.44
ACD/LogD (pH 5.5): 9.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4736093.50
ACD/LogD (pH 7.4): 9.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4735059.00
Polar Surface Area: 29 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 446.5±3.0 cm3

Click to predict properties on the Chemicalize site


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