ChemSpider 2D Image | alpha-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-4-O-[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]-beta-D-glucopyranosyl]-2-deoxy-1-O-[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]phosphinyl]oxy]phosphinyl]-, ion(3-) | C74H122N2O22P3

α-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-4-O-[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]-β-D-glucopyranosyl]-2-deoxy-1-O-[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]phosphinyl]oxy]phosphinyl]-, ion(3-)

  • Molecular FormulaC74H122N2O22P3
  • Average mass1484.684 Da
  • Monoisotopic mass1483.771851 Da
  • ChemSpider ID58163523

  • 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

α-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-4-O-[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]-β-D-glucopyranosyl]-2-deoxy-1-O-[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]phosphinyl]oxy]phosphinyl]-, ion(3-) [ACD/Index Name]
2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-2,3-dihydroxypropoxy]phosphinato}-β-D-glucopyranosyl)-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}-α-D-glucopyranose
4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-α-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate(3-)
4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate(3-)
4-O-[(2R)-glycerylphospho]-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-α-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate
4-O-[(2R)-glycerylphospho]-N-acetyl-β-D-mannosaminyl-(1->4)-N-acetyl-α-D-glucosaminyl undecaprenyl diphosphate
missing
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl u ndecaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:132211
      An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1right4)-N-acetyl-alpha-D-glucosaminy l undecaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:132211

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: 15.92
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 649.31
ACD/KOC (pH 5.5): 98.41
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 641.93
ACD/KOC (pH 7.4): 97.29
Polar Surface Area: 403 Å2
Polarizability:
Surface Tension:
Molar Volume:

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