ChemSpider 2D Image | (13cis)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione | C40H56O4

(13cis)-3,3'-Dihydroxy-κ,κ-carotene-6,6'-dione

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID10225634

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-3,3'-Dihydroxy-κ,κ-carotene-6,6'-dione [ACD/IUPAC Name]
(13cis)-3,3'-Dihydroxy-κ,κ-carotène-6,6'-dione [French] [ACD/IUPAC Name]
(13cis)-3,3'-Dihydroxy-κ,κ-carotin-6,6'-dion [German] [ACD/IUPAC Name]
κ,κ-Carotene-6,6'-dione, 3,3'-dihydroxy-, (13cis)- [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: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 416.4±29.4 °C
Index of Refraction: 1.542
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206502.22
ACD/KOC (pH 5.5): 221819.02
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206502.22
ACD/KOC (pH 7.4): 221819.02
Polar Surface Area: 75 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 590.9±3.0 cm3

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