ChemSpider 2D Image | (2S)-3-Methoxy-2-{methyl[(4E)-10,16,16-trichloro-4-hexadecenoyl]amino}propyl acetate | C23H40Cl3NO4

(2S)-3-Methoxy-2-{methyl[(4E)-10,16,16-trichloro-4-hexadecenoyl]amino}propyl acetate

  • Molecular FormulaC23H40Cl3NO4
  • Average mass500.927 Da
  • Monoisotopic mass499.202301 Da
  • ChemSpider ID35517165

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3-Methoxy-2-{methyl[(4E)-10,16,16-trichlor-4-hexadecenoyl]amino}propyl-acetat [German] [ACD/IUPAC Name]
(2S)-3-Methoxy-2-{methyl[(4E)-10,16,16-trichloro-4-hexadecenoyl]amino}propyl acetate [ACD/IUPAC Name]
4-Hexadecenamide, N-[(1S)-2-(acetyloxy)-1-(methoxymethyl)ethyl]-10,16,16-trichloro-N-methyl-, (4E)- [ACD/Index Name]
Acétate de (2S)-3-méthoxy-2-{méthyl[(4E)-10,16,16-trichloro-4-hexadecenoyl]amino}propyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33647.86
ACD/KOC (pH 5.5): 60531.30
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33647.86
ACD/KOC (pH 7.4): 60531.30
Polar Surface Area: 56 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 451.3±3.0 cm3

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