ChemSpider 2D Image | (2S)-1-[(2-{[(2R)-2-Ethylhexanoyl]oxy}ethyl)amino]-1-oxo-2-propanyl (2S)-2-ethylhexanoate | C21H39NO5

(2S)-1-[(2-{[(2R)-2-Ethylhexanoyl]oxy}ethyl)amino]-1-oxo-2-propanyl (2S)-2-ethylhexanoate

  • Molecular FormulaC21H39NO5
  • Average mass385.538 Da
  • Monoisotopic mass385.282837 Da
  • ChemSpider ID62647029

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-1-[(2-{[(2R)-2-Ethylhexanoyl]oxy}ethyl)amino]-1-oxo-2-propanyl (2S)-2-ethylhexanoate [ACD/IUPAC Name]
(2S)-1-[(2-{[(2R)-2-Ethylhexanoyl]oxy}ethyl)amino]-1-oxo-2-propanyl-(2S)-2-ethylhexanoat [German] [ACD/IUPAC Name]
(2S)-2-Éthylhexanoate de (2S)-1-[(2-{[(2R)-2-éthylhexanoyl]oxy}éthyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Hexanoic acid, 2-ethyl-, (1S)-2-[[2-[[(2R)-2-ethyl-1-oxohexyl]oxy]ethyl]amino]-1-methyl-2-oxoethyl ester, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 509.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±25.9 °C
Index of Refraction: 1.459
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8288.24
ACD/KOC (pH 5.5): 22203.71
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8288.23
ACD/KOC (pH 7.4): 22203.69
Polar Surface Area: 82 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 389.2±3.0 cm3

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