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Search term: 78435652 (Found by CSID)
ChemSpider 2D Image | 3-[3-(Dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate | C43H80N2O7

3-[3-(Dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC43H80N2O7
  • Average mass737.104 Da
  • Monoisotopic mass736.596558 Da
  • ChemSpider ID78435652

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,12E)-9,12-Octadécadiénoate de 3-[3-(diméthylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-[3-(Dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
3-[3-(Dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-(palmitoyloxy)propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[3-(dimethylamino)-4-(hydroxyamino)-4-oxobutoxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9E,12E)- [ACD/Index Name]
Vibratilicin

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.486
Molar Refractivity: 215.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.99
ACD/LogD (pH 5.5): 11.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 114 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 750.3±3.0 cm3

Click to predict properties on the Chemicalize site


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