ChemSpider 2D Image | (6R,10S)-13-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid | C29H48O4

(6R,10S)-13-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid

  • Molecular FormulaC29H48O4
  • Average mass460.689 Da
  • Monoisotopic mass460.355255 Da
  • ChemSpider ID35032539

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6R,10S)-13-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyltridecanoic acid [ACD/IUPAC Name]
(6R,10S)-13-[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-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,2,5,7,8-heptamethyl-, (εR,iotaS,2S)- [ACD/Index Name]
Acide (6R,10S)-13-[(2S)-6-hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6,10-triméthyltridécanoïque [French] [ACD/IUPAC Name]
(6R,10S)-13-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid
(6R,10S)-13-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid
13'-Carboxy-α-tocopherol
2-(12-Carboxy-4,8,12-trimethyldodecyl)-6-hydroxy-2,5,7,8-tetramethylchroman

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: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 185.4±23.6 °C
Index of Refraction: 1.509
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 417185.66
ACD/KOC (pH 5.5): 221726.48
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 6739.04
ACD/KOC (pH 7.4): 3581.68
Polar Surface Area: 67 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

Click to predict properties on the Chemicalize site


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