ChemSpider 2D Image | (3'Z)-3-Hydroxy-3',4'-didehydro-beta,psi-caroten-4-one | C40H52O2

(3'Z)-3-Hydroxy-3',4'-didehydro-β,ψ-caroten-4-one

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID8319951

  • Double-bond stereo - Double-bond stereo

More details:

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

(3'Z)-3-Hydroxy-3',4'-didehydro-β,ψ-caroten-4-one [ACD/IUPAC Name]
(3'Z)-3-Hydroxy-3',4'-didéhydro-β,ψ-carotén-4-one [French] [ACD/IUPAC Name]
(3'Z)-3-Hydroxy-3',4'-didehydro-β,ψ-carotin-4-on [German] [ACD/IUPAC Name]
β,ψ-Caroten-4-one, 3',4'-didehydro-3-hydroxy-, (3'Z)- [ACD/Index Name]
3-hydroxy-3'-4'-didehydro-&β;,&;ψ;-caroten-4-one
3-Hydroxy-4-ketotorulene
HDCO

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

Density: 1.0±0.1 g/cm3
Boiling Point: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 296.8±25.5 °C
Index of Refraction: 1.569
Molar Refractivity: 188.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 9.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6098901.50
ACD/LogD (pH 7.4): 9.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6098868.00
Polar Surface Area: 37 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 574.3±3.0 cm3

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