ChemSpider 2D Image | Ins-1-P-Cer(t20:0/24:0) | C50H100NO12P

Ins-1-P-Cer(t20:0/24:0)

  • Molecular FormulaC50H100NO12P
  • Average mass938.302 Da
  • Monoisotopic mass937.698303 Da
  • ChemSpider ID26332826

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2S,3S)-3,4-Dihydroxy-2-(tetracosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3S)-3,4-Dihydroxy-2-(tetracosanoylamino)icosyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
Ins-1-P-Cer(t20:0/24:0)
Phosphoric acid, (2S,3S)-3,4-dihydroxy-2-[(1-oxotetracosyl)amino]eicosyl (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl ester [ACD/Index Name]
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate; (2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyl 1D-myo-inositol hydrogen phosphate
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)icosyl 1D-myo-inositol hydrogen phosphate
inositol-P-ceramide-B
IPC-2
IPC-B
  • Miscellaneous

    • Chemical Class:

      A ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C<smallsub>20</smallsub> phytosphingosine base, with no additional hydroxylation of the very-long-chain fatty acid. ChEBI CHEBI:62699
      A ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with no additional hydroxylation of the very-long-chain fatty acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62699, CHEBI:62699

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 257.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 16.54
ACD/LogD (pH 5.5): 9.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 137040.64
ACD/LogD (pH 7.4): 9.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 109997.62
Polar Surface Area: 236 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 845.1±5.0 cm3

Click to predict properties on the Chemicalize site


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