ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl phosphatato(2-) | C34H66NO6P

(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl phosphatato(2-)

  • Molecular FormulaC34H66NO6P
  • Average mass615.866 Da
  • Monoisotopic mass615.463867 Da
  • ChemSpider ID28639160

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl phosphatato(2-) [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-ylphosphat [German] [ACD/IUPAC Name]
Hexadecanamidato(2-), N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-heptadecen-1-yl]-, ion(2-) [ACD/Index Name]
Phosphate de (2S,3R,4E)-3-hydroxy-2-(palmitoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl phosphate
CerP(d18:1/16:0)
N-(hexadecanoyl)sphing-4-enine-1-phosphate
N-(hexadecanoyl)-sphing-4-enine-1-phosphate
N-hexadecanoylsphing-4-enine-1-phosphate
N-hexadecanoylsphingosine 1-phosphate(2-)
More...
  • Miscellaneous

    • Chemical Class:

      A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as hexadecanoyl (palmitoyl). ChEBI CHEBI:72963

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 12.32
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 78665.08
ACD/KOC (pH 5.5): 12458.61
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 9103.15
ACD/KOC (pH 7.4): 1441.71
Polar Surface Area: 132 Å2
Polarizability:
Surface Tension:
Molar Volume:

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