ChemSpider 2D Image | (3'S)-3'-Hydroxy-11,12,13,14-tetrahydro-beta,beta-caroten-4-one | C40H58O2

(3'S)-3'-Hydroxy-11,12,13,14-tetrahydro-β,β-caroten-4-one

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID10160215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3'S)-3'-Hydroxy-11,12,13,14-tetrahydro-β,β-caroten-4-one [ACD/IUPAC Name]
(3'S)-3'-Hydroxy-11,12,13,14-tétrahydro-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(3'S)-3'-Hydroxy-11,12,13,14-tetrahydro-β,β-carotin-4-on [German] [ACD/IUPAC Name]
β,β-Caroten-4-one, 11,12,13,14-tetrahydro-3'-hydroxy-, (3'S)- [ACD/Index Name]
HEQ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 689.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 283.0±21.0 °C
Index of Refraction: 1.564
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.94
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 577.0±3.0 cm3

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