ChemSpider 2D Image | (15Z)-N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tetr acosenamide | C68H124N2O23

(15Z)-N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tetr acosenamide

  • Molecular FormulaC68H124N2O23
  • Average mass1337.712 Da
  • Monoisotopic mass1336.859497 Da
  • ChemSpider ID34448957

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(15Z)-N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tetr acosenamide [ACD/IUPAC Name]
(15Z)-N-[(2S,3R,4E)-1-{[2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-15-tet racosenamid [German] [ACD/IUPAC Name]
(15Z)-N-[(2S,3R,4E)-1-{[2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]-15-tét racosénamide [French] [ACD/IUPAC Name]
15-Tetracosenamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-h ydroxy-3-heptadecen-1-yl]-, (15Z)- [ACD/Index Name]
(15Z)-N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos
(15Z)-N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamide
(15Z)-N-[(2S,3R,4E)-1-{[N-acetyl-β-D-galactosaminyl-(1->3)-α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamide
-15-enamide
CQH
Cytolipin K
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A glycotetraosylceramide in which a linear <stereo>beta</stereo>-<stereo>D</stereo>-GalNAc-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>-4)-<stereo>beta </stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc tetrasaccharide unit is linked glycosidically to a (3<stereo>R</stereo>,4<stereo>E</stereo>)-3-hy droxy-2-(pentacosanoylamino)octadec-4-en-1-yl ceramide group. ChEBI CHEBI:84125
      A glycotetraosylceramide in which a linear beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->-4)-beta-D-Gal-(1->4)-beta-D-Glc tetrasaccharide unit is linked glycosidically to a (3R,4E)-3-hydroxy-2-(pentacosanoylam ino)octadec-4-en-1-yl ceramide group. ChEBI CHEBI:84125
      A glycotetraosylceramide in which a linear beta-D-GalNAc-(1right3)-alpha-D-Gal-(1right-4)-beta; -D-Gal-(1right4)-beta-D-Glc tetrasaccharide unit is linked glycosidically to a (3R,4E)-3-hy; droxy-2-(pe ntacosanoylamino)octadec-4-en-1-yl ceramide group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84125

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1327.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 225.0±6.0 kJ/mol
Flash Point: 756.6±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 349.5±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 14.84
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 395 Å2
Polarizability: 138.6±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 1068.8±5.0 cm3

Click to predict properties on the Chemicalize site


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