ChemSpider 2D Image | Myxol | C40H56O3

Myxol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID17220958

  • 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

(3R,3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotene-1',2',3-triol [ACD/IUPAC Name]
(3R,3'E)-3',4'-Didéhydro-1',2'-dihydro-β,ψ-carotène-1',2',3-triol [French] [ACD/IUPAC Name]
(3R,3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotin-1',2',3-triol [German] [ACD/IUPAC Name]
Myxol
β,ψ-Carotene-1',2',3-triol, 3',4'-didehydro-1',2'-dihydro-, (3R,3'E)- [ACD/Index Name]
31894-69-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 754.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 290.4±26.1 °C
Index of Refraction: 1.573
Molar Refractivity: 191.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2363861.00
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2363861.00
Polar Surface Area: 61 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 579.8±3.0 cm3

Click to predict properties on the Chemicalize site


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