ChemSpider 2D Image | lipid II | C94H156N8O26P2

lipid II

  • Molecular FormulaC94H156N8O26P2
  • Average mass1876.230 Da
  • Monoisotopic mass1875.060547 Da
  • ChemSpider ID26333143
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z, 30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8 -(4-aminobutyl)-13-carboxy-2,5,16-trimethyl- [ACD/IUPAC Name]
(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z, 30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-8 -(4-aminobutyl)-13-carboxy-2,5,16-trimethyl- [German] [ACD/IUPAC Name]
Acide (2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-acétamido-5-{[(2S,3R,4R,5S,6R)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22 Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undécaméthyl-2,6,10,14,18,22,26,30,34,38,42-tétratétracontaundécaén-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl] oxy}-8-(4-aminobutyl)-13-carboxy-2,5,16-trim [French] [ACD/IUPAC Name]
lipid II
,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alany
9039417
GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol
l-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine
N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7
N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine
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  • Miscellaneous
    • Chemical Class:

      An undecaprenyldiphospho-<element>N</element>-acetyl-(<element>N</element>-acetylglucosaminyl)muramoyl peptide in which the peptide element is <stereo>L</stereo>-alanyl-<stereo>D</stereo>-<locant>gamm a</locant>-glutamyl-<stereo>L</stereo>-lysyl-<stereo>D</stereo>-alanyl-<stereo>D</stereo>-alanine. ChEBI CHEBI:27692

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 497.6±0.4 cm3
#H bond acceptors: 34
#H bond donors: 17
#Freely Rotating Bonds: 63
#Rule of 5 Violations: 4
ACD/LogP: 17.33
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 262.80
ACD/KOC (pH 5.5): 52.48
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 243.22
ACD/KOC (pH 7.4): 48.57
Polar Surface Area: 544 Å2
Polarizability: 197.3±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 1527.5±5.0 cm3

Click to predict properties on the Chemicalize site





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