Found 24 results

Search term: MF = 'C_{40}H_{79}NO_{3}'
ChemSpider 2D Image | (1Z,13E)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-13-docosenimidic acid | C40H79NO3

(1Z,13E)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-13-docosenimidic acid

  • Molecular FormulaC40H79NO3
  • Average mass622.060 Da
  • Monoisotopic mass621.606018 Da
  • ChemSpider ID59699912

  • 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

(1Z,13E)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-13-docosenimidic acid [ACD/IUPAC Name]
(1Z,13E)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-13-docosenimidsäure [German] [ACD/IUPAC Name]
13-Docosenimidic acid, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (1Z,13E)- [ACD/Index Name]
Acide (1Z,13E)-N-[(2S,3R)-1,3-dihydroxy-2-octadécanyl]-13-docosénimidique [French] [ACD/IUPAC Name]
Cer(d18:0/22:1(13Z))
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]docos-13-enamide

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

Density: 0.9±0.1 g/cm3
Boiling Point: 710.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 494.7±24.9 °C
Index of Refraction: 1.485
Molar Refractivity: 192.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 16.99
ACD/LogD (pH 5.5): 14.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 34.2±7.0 dyne/cm
Molar Volume: 670.2±7.0 cm3

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