ChemSpider 2D Image | Crustaxanthin | C40H56O4

Crustaxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID8386332
  • Double-bond stereo - Double-bond stereo


More details:






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

3,4,3',4'-tetrahydroxy-β,β-carotene
b,b-Carotene-3,4,3',4'-tetrol
Crustaxanthin
β,β-Carotene-3,3',4,4'-tetrol [ACD/Index Name] [ACD/IUPAC Name]
β,β-Carotène-3,3',4,4'-tétrol [French] [ACD/IUPAC Name]
β,β-Carotin-3,3',4,4'-tetrol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 744.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 286.0±27.5 °C
Index of Refraction: 1.605
Molar Refractivity: 192.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.59
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1339289.50
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1339288.00
Polar Surface Area: 81 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 558.1±3.0 cm3

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