ChemSpider 2D Image | 4'-hydroxy-tetrahydro-§,§-caroten-4-one | C40H58O2

4'-hydroxy-tetrahydro-§,§-caroten-4-one

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID9278915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4'S,5S,5'S,6S,6'S)-4'-Hydroxy-5,5',6,6'-tetrahydro-β,β-caroten-4-one [ACD/IUPAC Name]
(4'S,5S,5'S,6S,6'S)-4'-Hydroxy-5,5',6,6'-tétrahydro-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(4'S,5S,5'S,6S,6'S)-4'-Hydroxy-5,5',6,6'-tetrahydro-β,β-carotin-4-on [German] [ACD/IUPAC Name]
4'-hydroxy-tetrahydro-§,§-caroten-4-one
β,β-Caroten-4-one, 5,5',6,6'-tetrahydro-4'-hydroxy-, (4'S,5S,5'S,6S,6'S)- [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: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 282.0±24.1 °C
Index of Refraction: 1.557
Molar Refractivity: 188.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 9.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4509279.00
ACD/LogD (pH 7.4): 9.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4509279.00
Polar Surface Area: 37 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 585.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement