ChemSpider 2D Image | 2-Acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-beta-D-mannopyranosyl}-2-deoxy-1-O-{[({[(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}phosphinato)oxy]phosphinato}-beta-D-glucopyranose | C74H122N2O22P3

2-Acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-deoxy-1-O-{[({[(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}phosphinato)oxy]phosphinato}-β-D-glucopyranose

  • Molecular FormulaC74H122N2O22P3
  • Average mass1484.684 Da
  • Monoisotopic mass1483.771851 Da
  • ChemSpider ID28184705

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-Acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-deoxy-1-O-{[({[(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}phosphinato)oxy]phosphinato}-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-{2-acetamido-2-desoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-desoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecameth yl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-{2-acétamido-2-désoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-désoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undécaméth yl-2,6,10,14,18,22,26,30,34,38,42-tétratétracontaundécaén-1-yl]oxy}phosphinato)oxy]phosphinato}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-6-O-[(2,3-dihydroxypropoxy)hydroxyphosphinyl]-β-D-mannopyranosyl]-2-deoxy-1-O-[hydroxy[[hydroxy[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34 E,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]phosphinyl]oxy]phosphinyl]-, ion(3-) [ACD/Index Name]
2-acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-deoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl
2-acetamido-4-O-{2-acetamido-2-deoxy-6-O-[(2,3-dihydroxypropoxy)phosphinato]-β-D-mannopyranosyl}-2-deoxy-1-O-{[({[(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}-β-D-glucopyranose
6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate
6-O-(1-glycerylphosphonato)-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl undecaprenyl diphosphate(3-)
missing
prenyl-P-P-GlcNAc-ManNAc-P-Gro
  • Miscellaneous

    • Chemical Class:

      A triply-charged organophosphate oxoanion obtained by deprotonation of the free phosphate and diphosphate OH groups of 6-O-(1-glycerylphospho)-N-acetyl-be; ta-D-mannosaminyl-(1right4)-N-acetyl-beta-D- glucosaminyl undecaprenyl diphosphate; major species at pH 7.3; . ChEBI CHEBI:64879
      A triply-charged organophosphate oxoanion obtained by deprotonation of the free phosphate and diphosphate OH groups of 6-O-(1-glycerylphospho)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-beta-D-gluco saminyl undecaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:64879

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: 24
#H bond donors: 11
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 4
ACD/LogP: 16.38
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 822.59
ACD/KOC (pH 5.5): 116.56
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 813.24
ACD/KOC (pH 7.4): 115.24
Polar Surface Area: 403 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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