ChemSpider 2D Image | Ins-1-P-Cer(t18:0/2,3-OH-24:0) | C48H96NO14P

Ins-1-P-Cer(t18:0/2,3-OH-24:0)

  • Molecular FormulaC48H96NO14P
  • Average mass942.248 Da
  • Monoisotopic mass941.656860 Da
  • ChemSpider ID26331926

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,3S,4S)-2-{[(2S,3R)-2,3-Dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3S,4S)-2-{[(2S,3R)-2,3-Dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadécyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
Ins-1-P-Cer(t18:0/2,3-OH-24:0)
Phosphoric acid, (2S,3S,4S)-2-[[(2S,3R)-2,3-dihydroxy-1-oxotetracosyl]amino]-3,4-dihydroxyoctadecyl (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl ester [ACD/Index Name]
(2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate; (2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosano
(2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate; (2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
(2S,3S,4S)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
inositol-P-ceramide D (18:0/24:0)
inositol-P-ceramide D (C24)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.534
Molar Refractivity: 251.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 13.71
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 32590.11
ACD/KOC (pH 5.5): 6374.08
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 26225.26
ACD/KOC (pH 7.4): 5129.21
Polar Surface Area: 277 Å2
Polarizability: 99.7±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 808.6±5.0 cm3

Click to predict properties on the Chemicalize site


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