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Search term: SULOOAFLXMQJSF-OGDYFQGPSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,3 4,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicos an-1-oate | C86H140N7O21P2

(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,3 4,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicos an-1-oate

  • Molecular FormulaC86H140N7O21P2
  • Average mass1670.015 Da
  • Monoisotopic mass1668.959351 Da
  • ChemSpider ID26331796

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 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-hydroxy-6-(hydroxymethyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,3 4,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicos an-1-oat [German] [ACD/IUPAC Name]
(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,3 4,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-trimethyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicos an-1-oate [ACD/IUPAC Name]
(2R,5R,8S,13R,16S,19R)-19-{[(2R,3R,4R,5S,6R)-3-Acétamido-5-hydroxy-6-(hydroxyméthyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undécaméthyl-2,6,10,14,18,22,26,30,3 4,38,42-tétratétracontaundécaén-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tétrahydro-2H-pyran-4-yl]oxy}-8-(4-ammoniobutyl)-13-carboxylato-2,5,16-triméthyl-4,7,10,15,18-pentaoxo-3,6,9,14,17-pentaazaicos an-1-oate [French] [ACD/IUPAC Name]
-D-glutamyl-L-lysyl- D-alanyl-D-alanine
lipid I
lipid II
mur2Ac(oyl-L-Ala-&γ;-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol
Mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-diphospho-di-trans,octa-cis-undecaprenol
Mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate
N-[(4R)-4-({N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(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}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl}amino)-4-carboxylatobutanoyl]-6-azaniumyl-L-norleucyl-N-[(1R)-1-carboxylatoethyl]-D-alaninamide
More...
  • Miscellaneous

    • Chemical Class:

      The ion of overall charge -3 formed from undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine at pH 7.3. ChEBI CHEBI:60032

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: 28
#H bond donors: 14
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 4
ACD/LogP: 17.45
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 1291.89
ACD/KOC (pH 5.5): 164.07
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 1195.66
ACD/KOC (pH 7.4): 151.85
Polar Surface Area: 469 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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