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

2-Methyl-2-propanyl (4S)-4-[(2-oxohexadecanoyl)amino]pentanoate

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID23332038

  • 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]pentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4S)-4-[(2-oxohexadecanoyl)amino]pentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-4-[(2-oxohexadecanoyl)amino]pentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-[(1,2-dioxohexadecyl)amino]-, 1,1-dimethylethyl ester, (4S)- [ACD/Index Name]
(S)-tert-Butyl 4-(2-oxohexadecanamido)pentanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462362/
tert-butyl (4S)-4-[(2-oxohexadecanoyl)amino]pentanoate

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: 123.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 652896.19
ACD/KOC (pH 5.5): 505633.09
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 652878.25
ACD/KOC (pH 7.4): 505619.22
Polar Surface Area: 72 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 448.2±3.0 cm3

Click to predict properties on the Chemicalize site


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