Found 1 result

Search term: UTZGCTOXYQFFGV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3E)-1,1'-Dihydroxy-3,4-didehydro-1,1',2,2',7',8'-hexahydro-psi,psi-caroten-2-one | C40H58O3

(3E)-1,1'-Dihydroxy-3,4-didehydro-1,1',2,2',7',8'-hexahydro-ψ,ψ-caroten-2-one

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID17220976

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1,1'-Dihydroxy-3,4-didehydro-1,1',2,2',7',8'-hexahydro-ψ,ψ-caroten-2-one [ACD/IUPAC Name]
(3E)-1,1'-Dihydroxy-3,4-didéhydro-1,1',2,2',7',8'-hexahydro-ψ,ψ-carotén-2-one [French] [ACD/IUPAC Name]
(3E)-1,1'-Dihydroxy-3,4-didehydro-1,1',2,2',7',8'-hexahydro-ψ,ψ-carotin-2-on [German] [ACD/IUPAC Name]
ψ,ψ-Caroten-2-one, 3,4-didehydro-1,1',2,2',7',8'-hexahydro-1,1'-dihydroxy-, (3E)- [ACD/Index Name]
OH-Demethylspheroidenone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 737.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 413.8±28.0 °C
Index of Refraction: 1.536
Molar Refractivity: 190.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4257173.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4257159.00
Polar Surface Area: 58 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 609.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement