ChemSpider 2D Image | 4833682 | C39H79N2O6P

4833682

  • Molecular FormulaC39H79N2O6P
  • Average mass703.028 Da
  • Monoisotopic mass702.567566 Da
  • ChemSpider ID8115562
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(2S,3R,4E)-2-(Palmitoylamino)-4-octadecene-3-hydroxy-1-phosphocholine
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
16:0 SM (d18:1/16:0)
4833682
6254-89-3 [RN]
C16 sphingomyelin
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[(1-oxohexadecyl)amino]-4-octadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
MFCD02259286
N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

804F5DLI9L [DBID]
UNII:804F5DLI9L [DBID]
UNII-804F5DLI9L [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1408175.75
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1408223.63
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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