ChemSpider 2D Image | (2S)-2-[(3E,7E,11E)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,7,8-trimethyl-6-chromanol | C28H42O3

(2S)-2-[(3E,7E,11E)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,7,8-trimethyl-6-chromanol

  • Molecular FormulaC28H42O3
  • Average mass426.631 Da
  • Monoisotopic mass426.313385 Da
  • ChemSpider ID30776636

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(3E,7E,11E)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,7,8-trimethyl-6-chromanol [German] [ACD/IUPAC Name]
(2S)-2-[(3E,7E,11E)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,7,8-trimethyl-6-chromanol [ACD/IUPAC Name]
(2S)-2-[(3E,7E,11E)-13-Hydroxy-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-2,7,8-triméthyl-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,7,8-trimethyl-, (2S)- [ACD/Index Name]
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-6-ol
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-γ-tocotrienol
13OHgammaTE

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 453546.13
ACD/KOC (pH 5.5): 389566.34
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 453445.53
ACD/KOC (pH 7.4): 389479.94
Polar Surface Area: 50 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 423.1±3.0 cm3

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