ChemSpider 2D Image | isoclathriaxanthin | C40H50O2

isoclathriaxanthin

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID10478586

  • 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

(3S)-3-Hydroxy-β,phi-caroten-4-one [ACD/IUPAC Name]
(3S)-3-Hydroxy-β,phi-carotén-4-one [French] [ACD/IUPAC Name]
(3S)-3-Hydroxy-β,phi-carotin-4-on [German] [ACD/IUPAC Name]
isoclathriaxanthin
β,phi-Caroten-4-one, 3-hydroxy-, (3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 296.9±25.5 °C
Index of Refraction: 1.593
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.78
ACD/LogD (pH 5.5): 9.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4192082.75
ACD/LogD (pH 7.4): 9.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4192059.75
Polar Surface Area: 37 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 552.8±3.0 cm3

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