ChemSpider 2D Image | cucumariaxanthin A | C40H56O2

cucumariaxanthin A

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID8897079
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5S,5'S,6S,6'S,9cis,9'cis)-5,5',6,6'-Tetrahydro-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
(5S,5'S,6S,6'S,9cis,9'cis)-5,5',6,6'-Tétrahydro-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
(5S,5'S,6S,6'S,9cis,9'cis)-5,5',6,6'-Tetrahydro-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
cucumariaxanthin A
β,β-Carotene-4,4'-dione, 5,5',6,6'-tetrahydro-, (5S,5'S,6S,6'S,9cis,9'cis)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 687.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 245.2±27.1 °C
Index of Refraction: 1.553
Molar Refractivity: 187.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 9.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4346075.50
ACD/LogD (pH 7.4): 9.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4346075.50
Polar Surface Area: 34 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 584.6±3.0 cm3

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