ChemSpider 2D Image | N-(3-{[(2E)-3,3-Dihydroxy-2-{[(1Z)-1-hydroxy-1-octen-1-yl]imino}propyl]disulfanyl}-1,1-dihydroxy-1-propen-2-yl)octanamide | C22H40N2O6S2

N-(3-{[(2E)-3,3-Dihydroxy-2-{[(1Z)-1-hydroxy-1-octen-1-yl]imino}propyl]disulfanyl}-1,1-dihydroxy-1-propen-2-yl)octanamide

  • Molecular FormulaC22H40N2O6S2
  • Average mass492.693 Da
  • Monoisotopic mass492.232788 Da
  • ChemSpider ID95752619

  • Double-bond stereo - Double-bond stereo

More details:

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

N-(3-{[(2E)-3,3-Dihydroxy-2-{[(1Z)-1-hydroxy-1-octen-1-yl]imino}propyl]disulfanyl}-1,1-dihydroxy-1-propen-2-yl)octanamid [German] [ACD/IUPAC Name]
N-(3-{[(2E)-3,3-Dihydroxy-2-{[(1Z)-1-hydroxy-1-octen-1-yl]imino}propyl]disulfanyl}-1,1-dihydroxy-1-propen-2-yl)octanamide [ACD/IUPAC Name]
N-(3-{[(2E)-3,3-Dihydroxy-2-{[(1Z)-1-hydroxy-1-octén-1-yl]imino}propyl]disulfanyl}-1,1-dihydroxy-1-propén-2-yl)octanamide [French] [ACD/IUPAC Name]
Octanamide, N-[1-[[[(2E)-3,3-dihydroxy-2-[[(1Z)-1-hydroxy-1-octen-1-yl]imino]propyl]dithio]methyl]-2,2-dihydroxyethenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 33371.12
ACD/KOC (pH 5.5): 58183.15
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36554.16
ACD/KOC (pH 7.4): 63732.84
Polar Surface Area: 193 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 406.9±7.0 cm3

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