ChemSpider 2D Image | Methyl (4S)-4-[(2-oxohexadecanoyl)amino]octanoate | C25H47NO4

Methyl (4S)-4-[(2-oxohexadecanoyl)amino]octanoate

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID23332037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-[(2-Oxohexadecanoyl)amino]octanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (4S)-4-[(2-oxohexadecanoyl)amino]octanoate [ACD/IUPAC Name]
Methyl-(4S)-4-[(2-oxohexadecanoyl)amino]octanoat [German] [ACD/IUPAC Name]
Octanoic acid, 4-[(1,2-dioxohexadecyl)amino]-, methyl ester, (4S)- [ACD/Index Name]
(S)-Methyl 4-(2-oxohexadecanamido)octanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462361/

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

Density: 0.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.462
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 862024.69
ACD/KOC (pH 5.5): 616899.00
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 861994.38
ACD/KOC (pH 7.4): 616877.31
Polar Surface Area: 72 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 448.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement