Found 7 results

Search term: MF = 'C_{36}H_{67}NO_{3}'
ChemSpider 2D Image | (13Z)-N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]-13-docosenamide | C36H67NO3

(13Z)-N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]-13-docosenamide

  • Molecular FormulaC36H67NO3
  • Average mass561.922 Da
  • Monoisotopic mass561.512085 Da
  • ChemSpider ID113381113

  • 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

(13Z)-N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]-13-docosenamid [German] [ACD/IUPAC Name]
(13Z)-N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tetradecadien-2-yl]-13-docosenamide [ACD/IUPAC Name]
(13Z)-N-[(2S,3R,4E,6E)-1,3-Dihydroxy-4,6-tétradécadién-2-yl]-13-docosénamide [French] [ACD/IUPAC Name]
13-Docosenamide, N-[(1S,2R,3E,5E)-2-hydroxy-1-(hydroxymethyl)-3,5-tridecadien-1-yl]-, (13Z)- [ACD/Index Name]
Cer(d14:2(4E,6E)/22:1(13Z))
Cer[NS]
N-(13Z-docosenoyl)-4E,6E-tetradecasphingadienine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 701.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 377.9±32.9 °C
Index of Refraction: 1.492
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.36
ACD/LogD (pH 5.5): 11.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 605.3±3.0 cm3

Click to predict properties on the Chemicalize site


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