ChemSpider 2D Image | oceanapin D | C41H81NO3

oceanapin D

  • Molecular FormulaC41H81NO3
  • Average mass636.087 Da
  • Monoisotopic mass635.621643 Da
  • ChemSpider ID10474226

  • 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

Docosanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-15-methyl-3-hexadecen-1-yl]-21-methyl- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-16-methyl-4-heptadecen-2-yl]-21-methyldocosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-16-methyl-4-heptadecen-2-yl]-21-methyldocosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-16-méthyl-4-heptadécén-2-yl]-21-méthyldocosanamide [French] [ACD/IUPAC Name]
oceanapin D

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

Density: 0.9±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 398.3±32.9 °C
Index of Refraction: 1.478
Molar Refractivity: 198.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 16.69
ACD/LogD (pH 5.5): 13.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 701.4±3.0 cm3

Click to predict properties on the Chemicalize site


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