ChemSpider 2D Image | micromonal | C40H56O3

micromonal

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID10365683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didehydro-5,6,7,8-tetrahydro-β,β-caroten-19-al [ACD/IUPAC Name]
(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didéhydro-5,6,7,8-tétrahydro-β,β-carotén-19-al [French] [ACD/IUPAC Name]
(3R,3'R,6R)-3,3'-Dihydroxy-4,5-didehydro-5,6,7,8-tetrahydro-β,β-carotin-19-al [German] [ACD/IUPAC Name]
micromonal
β,β-Caroten-19-al, 4,5-didehydro-5,6,7,8-tetrahydro-3,3'-dihydroxy-, (3R,3'R,6R)- [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: 731.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 409.9±28.0 °C
Index of Refraction: 1.558
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.38
ACD/LogD (pH 5.5): 9.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2871995.50
ACD/LogD (pH 7.4): 9.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2871995.50
Polar Surface Area: 58 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 581.6±3.0 cm3

Click to predict properties on the Chemicalize site


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