ChemSpider 2D Image | (3'E)-3',4'-Didehydro-beta,psi-caroten-16'-ol | C40H54O

(3'E)-3',4'-Didehydro-β,ψ-caroten-16'-ol

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID28284589

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(3'E)-3',4'-Didehydro-β,ψ-caroten-16'-ol [ACD/IUPAC Name]
(3'E)-3',4'-Didéhydro-β,ψ-carotén-16'-ol [French] [ACD/IUPAC Name]
(3'E)-3',4'-Didehydro-β,ψ-carotin-16'-ol [German] [ACD/IUPAC Name]
β,ψ-Caroten-16'-ol, 3',4'-didehydro-, (3'E)- [ACD/Index Name]
(E)-3',4'-didehydro-β,ψ-caroten-16'-ol
16'-hydroxytorulene
3',4'-Didehydro-β,ψ-caroten-16'-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 703.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 179.1±20.6 °C
Index of Refraction: 1.564
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.28
ACD/LogD (pH 5.5): 11.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 578.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement