ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-beta-D-mannopyranosyl]oxy}cy clohexyl phosphate | C60H115NO24P2

(2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cy clohexyl phosphate

  • Molecular FormulaC60H115NO24P2
  • Average mass1296.496 Da
  • Monoisotopic mass1295.729492 Da
  • ChemSpider ID28532882

  • Charge - Charge

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cy clohexyl phosphate [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-(tetracosanoylamino)octadecyl-(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cy clohexylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadécyle et de (1R,2R,3R,4R,5S,6R)-2,3,4,5-tétrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-m annopyranosyl]oxy}cyclohexyle [French] [ACD/IUPAC Name]
Phosphoric acid, (2S,3R)-3-hydroxy-2-[(1-oxotetracosyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[[6-O-[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycycloh exyl]oxy]phosphinyl]-β-D-mannopyranosyl]oxy]cyclohexyl ester, ion(2-) [ACD/Index Name]
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl
(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cyclohexyl phosphate
Ins-1-P-6-Man-β1-2-Ins-1-P-Cer(d18:0/24:0)(2-)
  • Miscellaneous

    • Chemical Class:

      An inositol phosphomannosylinositol phosphophytoceramide(2-) having a tetracosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3. ChEBI CHEBI:65193

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 25
#H bond donors: 16
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 12.06
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 22.14
ACD/KOC (pH 5.5): 16.81
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 22.11
ACD/KOC (pH 7.4): 16.79
Polar Surface Area: 447 Å2
Polarizability:
Surface Tension:
Molar Volume:

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