ChemSpider 2D Image | (1E,2R)-2-hydroxy-N-[(E,2R,12S)-2-hydroxy-12-methyl-1-[[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetradec-3-enyl]docosanimidic acid | C44H85NO9

(1E,2R)-2-hydroxy-N-[(E,2R,12S)-2-hydroxy-12-methyl-1-[[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetradec-3-enyl]docosanimidic acid

  • Molecular FormulaC44H85NO9
  • Average mass772.147 Da
  • Monoisotopic mass771.622437 Da
  • ChemSpider ID21431305

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

Density: 1.1±0.1 g/cm3
Boiling Point: 860.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 474.4±37.1 °C
Index of Refraction: 1.518
Molar Refractivity: 214.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 13.35
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4333168.00
ACD/LogD (pH 7.4): 10.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4235651.50
Polar Surface Area: 172 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 706.5±7.0 cm3

Click to predict properties on the Chemicalize site


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