ChemSpider 2D Image | Ins-1-P-Cer(t18:0/24:0) | C48H96NO12P

Ins-1-P-Cer(t18:0/24:0)

  • Molecular FormulaC48H96NO12P
  • Average mass910.249 Da
  • Monoisotopic mass909.666992 Da
  • ChemSpider ID26331923

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3S,4S)-3,4-Dihydroxy-2-(tetracosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3S,4S)-3,4-Dihydroxy-2-(tetracosanoylamino)octadecyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadécyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
Ins-1-P-Cer(t18:0/24:0)
Phosphoric acid, (2S,3S,4S)-3,4-dihydroxy-2-[(1-oxotetracosyl)amino]octadecyl (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl ester [ACD/Index Name]
(2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate; (2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl 1D-myo-inosit
(2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate; (2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl 1D-myo-inositol hydrogen phosphate
(2S,3S,4S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl 1D-myo-inositol hydrogen phosphate
inositol-P-ceramide B (18:0/24:0)
inositol-P-ceramide B (C24)
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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: 1.523
Molar Refractivity: 248.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 15.48
ACD/LogD (pH 5.5): 8.96
ACD/BCF (pH 5.5): 583785.75
ACD/KOC (pH 5.5): 50319.79
ACD/LogD (pH 7.4): 8.87
ACD/BCF (pH 7.4): 468584.38
ACD/KOC (pH 7.4): 40389.89
Polar Surface Area: 236 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 813.2±5.0 cm3

Click to predict properties on the Chemicalize site


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