ChemSpider 2D Image | (6R,10S)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid | C28H46O4

(6R,10S)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid

  • Molecular FormulaC28H46O4
  • Average mass446.662 Da
  • Monoisotopic mass446.339600 Da
  • ChemSpider ID35032540

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6R,10S)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid [ACD/IUPAC Name]
(6R,10S)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecansäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-tridecanoic acid, 3,4-dihydro-6-hydroxy-α,ε,iota,2,7,8-hexamethyl-, (εR,iotaS,2R)- [ACD/Index Name]
Acide (6R,10S)-13-[(2R)-6-hydroxy-2,7,8-triméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6,10-triméthyltridécanoïque [French] [ACD/IUPAC Name]
(6R,10S)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid
(6R,10S)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid
13'-Carboxy-γ-tocopherol
2,7,8-Trimethyl-2-(13'-carboxy-4',8',12'-trimethyltridecyl)-6-chromanol
2,7,8-Trimethyl-2-(13'-carboxy-4',8',12'-trimethyltridecyl)-6-hydroxychroman

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: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 184.1±23.6 °C
Index of Refraction: 1.509
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.34
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 185324.31
ACD/KOC (pH 5.5): 124043.92
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 2993.29
ACD/KOC (pH 7.4): 2003.51
Polar Surface Area: 67 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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