ChemSpider 2D Image | N-docosanoylsphingosine-1-phosphate | C40H80NO6P

N-docosanoylsphingosine-1-phosphate

  • Molecular FormulaC40H80NO6P
  • Average mass702.040 Da
  • Monoisotopic mass701.572327 Da
  • ChemSpider ID4446698

  • 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)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R,4E)-2-(Docosanoylamino)-3-hydroxy-4-octadecen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2S,3R,4E)-2-(docosanoylamino)-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Docosanamide, N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-heptadecen-1-yl]- [ACD/Index Name]
N-docosanoylsphingosine-1-phosphate
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
[(2S,3R,4E)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxyphosphonic acid
[(E,2S,3R)-2-(docosanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
{[(2S,3R)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}phosphonic acid
{[(2S,3R,4E)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}phosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSP02050006 [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: 1.485
Molar Refractivity: 204.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.51
ACD/LogD (pH 5.5): 10.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 269403.50
ACD/LogD (pH 7.4): 9.32
ACD/BCF (pH 7.4): 667071.69
ACD/KOC (pH 7.4): 31175.47
Polar Surface Area: 126 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 712.1±3.0 cm3

Click to predict properties on the Chemicalize site


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