ChemSpider 2D Image | (2R)-2-Hydroxy-N-[(2S,3S,4R,9E)-1,3,4-trihydroxy-9-octadecen-2-yl]tetracosanamide | C42H83NO5

(2R)-2-Hydroxy-N-[(2S,3S,4R,9E)-1,3,4-trihydroxy-9-octadecen-2-yl]tetracosanamide

  • Molecular FormulaC42H83NO5
  • Average mass682.112 Da
  • Monoisotopic mass681.627136 Da
  • ChemSpider ID9939832

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxy-N-[(2S,3S,4R,9E)-1,3,4-trihydroxy-9-octadecen-2-yl]tetracosanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R,9E)-1,3,4-trihydroxy-9-octadecen-2-yl]tetracosanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R,9E)-1,3,4-trihydroxy-9-octadécén-2-yl]tétracosanamide [French] [ACD/IUPAC Name]
(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
Tetracosanamide, N-[(1S,2S,3R,8E)-2,3-dihydroxy-1-(hydroxymethyl)-8-heptadecen-1-yl]-2-hydroxy-, (2R)- [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: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.4±6.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 15.78
ACD/LogD (pH 5.5): 13.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 712.9±3.0 cm3

Click to predict properties on the Chemicalize site


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