ChemSpider 2D Image | anhydromicromonal | C40H54O2

anhydromicromonal

  • Molecular FormulaC40H54O2
  • Average mass566.856 Da
  • Monoisotopic mass566.412354 Da
  • ChemSpider ID10475686
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3'R,6S)-3'-Hydroxy-2,3,4,5-tetradehydro-5,6,7,8-tetrahydro-β,β-caroten-19-al [ACD/IUPAC Name]
(3'R,6S)-3'-Hydroxy-2,3,4,5-tétradéhydro-5,6,7,8-tétrahydro-β,β-carotén-19-al [French] [ACD/IUPAC Name]
(3'R,6S)-3'-Hydroxy-2,3,4,5-tetradehydro-5,6,7,8-tetrahydro-β,β-carotin-19-al [German] [ACD/IUPAC Name]
anhydromicromonal
β,β-Caroten-19-al, 2,3,4,5-tetradehydro-5,6,7,8-tetrahydro-3'-hydroxy-, (3'R,6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 705.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 288.6±20.8 °C
Index of Refraction: 1.555
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.88
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 577.9±3.0 cm3

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