ChemSpider 2D Image | MFCD00678983 | C36H72NO6P

MFCD00678983

  • Molecular FormulaC36H72NO6P
  • Average mass645.934 Da
  • Monoisotopic mass645.509705 Da
  • ChemSpider ID4446696
  • 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-(stearoylamino)-4-octadecen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
128543-23-7 [RN]
Ceramide 1-phosphate from bovine brain
Dihydrogénophosphate de (2S,3R,4E)-3-hydroxy-2-(stearoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
MFCD00678983
N-octadecanoylsphingosine 1-phosphate
Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-heptadecen-1-yl]- [ACD/Index Name]
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl dihydrogen phosphate
[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl]oxyphosphonic acid
More...

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

C4832_SIGMA [DBID]
LMSP02050004 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.486
Molar Refractivity: 185.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 13.39
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 313359.41
ACD/KOC (pH 5.5): 33506.59
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 36262.07
ACD/KOC (pH 7.4): 3877.39
Polar Surface Area: 126 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 646.1±3.0 cm3

Click to predict properties on the Chemicalize site






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