ChemSpider 2D Image | (6S)-9-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid | C24H38O4

(6S)-9-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid

  • Molecular FormulaC24H38O4
  • Average mass390.556 Da
  • Monoisotopic mass390.277008 Da
  • ChemSpider ID35032551

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6S)-9-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid [ACD/IUPAC Name]
(6S)-9-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonansäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-nonanoic acid, 3,4-dihydro-6-hydroxy-α,ε,2,5,7,8-hexamethyl-, (εS,2S)- [ACD/Index Name]
Acide (6S)-9-[(2S)-6-hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6-diméthylnonanoïque [French] [ACD/IUPAC Name]
(6S)-9-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6-dimethylnonanoic acid
(6S)-9-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnonanoic acid
2-(9-Carboxy-4,8-dimethylnonyl)-6-hydroxy-2,5,7,8-tetramethylchroman
2,5,7,8-Tetramethyl-2-(4',8'-dimethyl-9'-carboxy-nonyl)-6-chromanol
9'-Carboxy-α-chromanol
9'-Carboxy-α-tocopherol

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: 547.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 179.4±23.6 °C
Index of Refraction: 1.518
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 12119.39
ACD/KOC (pH 5.5): 17604.69
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 195.75
ACD/KOC (pH 7.4): 284.34
Polar Surface Area: 67 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

Click to predict properties on the Chemicalize site


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