ChemSpider 2D Image | (4xi)-2-Deoxy-2-[(E)-(1-hydroxyethylidene)amino]-3-O-[(2R,3Z,5S,6Z,8R,11Z,13S,14Z)-3,6,11,14,19-pentahydroxy-8-[hydroxy(imino)methyl]-5,13-dimethyl-19-oxido-25-oxo-22-(palmitoyloxy)-18,20,24-trioxa-4, 7,12,15-tetraaza-19lambda~5~-phosphatetraconta-3,6,11,14-tetraen-2-yl]-beta-D-xylo-hexopyranose | C59H109N6O19P

(4ξ)-2-Deoxy-2-[(E)-(1-hydroxyethylidene)amino]-3-O-[(2R,3Z,5S,6Z,8R,11Z,13S,14Z)-3,6,11,14,19-pentahydroxy-8-[hydroxy(imino)methyl]-5,13-dimethyl-19-oxido-25-oxo-22-(palmitoyloxy)-18,20,24-trioxa-4, 7,12,15-tetraaza-19λ5-phosphatetraconta-3,6,11,14-tetraen-2-yl]-β-D-xylo-hexopyranose

  • Molecular FormulaC59H109N6O19P
  • Average mass1237.499 Da
  • Monoisotopic mass1236.748535 Da
  • ChemSpider ID35033269

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(4ξ)-2-Deoxy-2-[(E)-(1-hydroxyethylidene)amino]-3-O-[(2R,3Z,5S,6Z,8R,11Z,13S,14Z)-3,6,11,14,19-pentahydroxy-8-[hydroxy(imino)methyl]-5,13-dimethyl-19-oxido-25-oxo-22-(palmitoyloxy)-18,20,24-trioxa-4, 7,12,15-tetraaza-19λ5-phosphatetraconta-3,6,11,14-tetraen-2-yl]-β-D-xylo-hexopyranose [ACD/IUPAC Name]
(4ξ)-2-Desoxy-2-[(E)-(1-hydroxyethyliden)amino]-3-O-[(2R,3Z,5S,6Z,8R,11Z,13S,14Z)-3,6,11,14,19-pentahydroxy-8-[hydroxy(imino)methyl]-5,13-dimethyl-19-oxido-25-oxo-22-(palmitoyloxy)-18,20,24-trioxa-4, 7,12,15-tetraaza-19λ5-phosphatetraconta-3,6,11,14-tetraen-2-yl]-β-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
(4ξ)-2-Désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-3-O-[(2R,3Z,5S,6Z,8R,11Z,13S,14Z)-3,6,11,14,19-pentahydroxy-8-[hydroxy(imino)méthyl]-5,13-diméthyl-25-oxo-19-oxydo-22-(palmitoyloxy)-18,20,24-trioxa-4 ,7,12,15-tétraaza-19λ5-phosphatétraconta-3,6,11,14-tétraén-2-yl]-β-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranose, 3-O-[(1R,2Z)-2-[[(1S,2Z)-2-[[(1R,4Z)-4-[[(1S,2Z)-2-[[2-[[[2,3-bis[(1-oxohexadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]ethyl]imino]-2-hydroxy-1-methylethyl]imino]-4-hydroxy-1-(h ydroxyiminomethyl)butyl]imino]-2-hydroxy-1-methylethyl]imino]-2-hydroxy-1-methylethyl]-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-, (4ξ)- [ACD/Index Name]
[3-[2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
83461-56-7 [RN]
83461-56-7 (free acid)
CGP 19835
CGP 19835|CGP-19835|L-MTP-PE|liposomal muramyl tripeptide phosphatidyl ethanolamine|Mepact®|MLV 19835A
CGP-19835
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-MTP-PE [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1188.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 198.7±6.0 kJ/mol
Flash Point: 672.5±37.1 °C
Index of Refraction: 1.549
Molar Refractivity: 314.3±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 4
ACD/LogP: 14.99
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 4643.54
ACD/KOC (pH 5.5): 925.42
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 774.88
ACD/KOC (pH 7.4): 154.43
Polar Surface Area: 404 Å2
Polarizability: 124.6±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 987.9±7.0 cm3

Click to predict properties on the Chemicalize site


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