ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-(palmitoylamino)octadecyl dihydrogen phosphate | C34H70NO6P

(2S,3R)-3-Hydroxy-2-(palmitoylamino)octadecyl dihydrogen phosphate

  • Molecular FormulaC34H70NO6P
  • Average mass619.896 Da
  • Monoisotopic mass619.494080 Da
  • ChemSpider ID4446695
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-3-Hydroxy-2-(palmitoylamino)octadecyl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(palmitoylamino)octadecyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2S,3R)-3-hydroxy-2-(palmitoylamino)octadécyle [French] [ACD/IUPAC Name]
Hexadecanamide, N-[(1S,2R)-2-hydroxy-1-[(phosphonooxy)methyl]heptadecyl]- [ACD/Index Name]
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
[(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl] dihydrogen phosphate
[(2S,3R)-2-hexadecanamido-3-hydroxyoctadecyl]oxyphosphonic acid
{[(2S,3R)-2-hexadecanamido-3-hydroxyoctadecyl]oxy}phosphonic acid
1PX
C16 dihydroceramide-1-phosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSP02050003 [DBID]

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: 1.481
Molar Refractivity: 176.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 12.45
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 138394.25
ACD/KOC (pH 5.5): 18719.06
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 15984.36
ACD/KOC (pH 7.4): 2162.03
Polar Surface Area: 126 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 619.5±3.0 cm3

Click to predict properties on the Chemicalize site






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