Found 24 results

Search term: MF = 'C_{40}H_{79}NO_{3}'
ChemSpider 2D Image | oceanapin B | C40H79NO3

oceanapin B

  • Molecular FormulaC40H79NO3
  • Average mass622.060 Da
  • Monoisotopic mass621.606018 Da
  • ChemSpider ID10474224

  • 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)-14-methyl-3-pentadecen-1-yl]-21-methyl- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]-21-methyldocosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-methyl-4-hexadecen-2-yl]-21-methyldocosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-15-méthyl-4-hexadécén-2-yl]-21-méthyldocosanamide [French] [ACD/IUPAC Name]
oceanapin B

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

Density: 0.9±0.1 g/cm3
Boiling Point: 725.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.478
Molar Refractivity: 193.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 16.16
ACD/LogD (pH 5.5): 12.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 684.9±3.0 cm3

Click to predict properties on the Chemicalize site


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