ChemSpider 2D Image | beta,kappa-Carotene-3,3',6'-triol | C40H58O3

β,κ-Carotene-3,3',6'-triol

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID4952663

  • Double-bond stereo - Double-bond stereo

More details:

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

β,κ-Carotene-3,3',6'-triol [ACD/Index Name] [ACD/IUPAC Name]
β,κ-Carotène-3,3',6'-triol [French] [ACD/IUPAC Name]
β,κ-Carotin-3,3',6'-triol [German] [ACD/IUPAC Name]
33981-79-2 [RN]
35321-60-9 [RN]
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-HYDROXY-19-(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-3,7,12,16-TETRAMETHYLNONADECA-1,3,5,7,9,11,13,15,17-NONAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL
Capsanthol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 725.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 277.5±23.3 °C
Index of Refraction: 1.567
Molar Refractivity: 189.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.38
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2939020.25
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2939020.25
Polar Surface Area: 61 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 579.4±3.0 cm3

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