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Search term: YHUVNRUCZVBSAB-LOYCUKJKSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-{[(2S)-3-Amino-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyl dihexadecanoate | C54H104N2O6S

(2R)-3-{[(2S)-3-Amino-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyl dihexadecanoate

  • Molecular FormulaC54H104N2O6S
  • Average mass909.478 Da
  • Monoisotopic mass908.761536 Da
  • ChemSpider ID20581252

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-{[(2S)-3-Amino-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
(2R)-3-{[(2S)-3-Amino-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
Dihexadécanoate de (2R)-3-{[(2S)-3-amino-3-oxo-2-(palmitoylamino)propyl]sulfanyl}-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-1-[[[(2S)-3-amino-3-oxo-2-[(1-oxohexadecyl)amino]propyl]thio]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2r)-3-{[(2s)-3-Hydroxy-2-(Palmitoylamino)propyl]thio}propane-1,2-Diyl Dihexadecanoate
PCJ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 921.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 510.8±34.3 °C
Index of Refraction: 1.483
Molar Refractivity: 270.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 21.84
ACD/LogD (pH 5.5): 20.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 150 Å2
Polarizability: 107.4±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 948.3±3.0 cm3

Click to predict properties on the Chemicalize site


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