ChemSpider 2D Image | 2-Acetamido-2-deoxy-4-O-beta-D-glucopyranosyl-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]o xy}phosphinato)oxy]phosphinato}-D-glucopyranose | C69H113NO17P2

2-Acetamido-2-deoxy-4-O-β-D-glucopyranosyl-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]o xy}phosphinato)oxy]phosphinato}-D-glucopyranose

  • Molecular FormulaC69H113NO17P2
  • Average mass1290.581 Da
  • Monoisotopic mass1289.749512 Da
  • ChemSpider ID26331777

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-4-O-β-D-glucopyranosyl-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]o xy}phosphinato)oxy]phosphinato}-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-4-O-β-D-glucopyranosyl-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}-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-4-O-β-D-glucopyranosyl-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undécaméthyl-2,6,10,14,18,22,26,30,34,38,42-tétratétracontaundécaén-1-yl] oxy}phosphinato)oxy]phosphinato}-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-(acetylamino)-2-deoxy-4-O-β-D-glucopyranosyl-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-2,6,10,14,18,22,26,30,34,3 8,42-tetratetracontaundecaen-1-yl]oxy]phosphinyl]oxy]phosphinyl]-, ion(2-) [ACD/Index Name]
2-(acetylamino)-2-deoxy-4-O-β-D-glucopyranosyl-1-O-{[({[(2E,6E,10E,14E,18E,22E,26E,30E,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
2-(acetylamino)-2-deoxy-4-O-β-D-glucopyranosyl-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}-D-glucopyranosebeta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate
missing
β-D-glucosyl-(1->;4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-)
  • Miscellaneous

    • Chemical Class:

      The dianion resulting from the removal of the two protons from the diphosphate group of beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate. ChEBI CHEBI:59985
      The dianion resulting from the removal of the two protons from the diphosphate group of beta-D-glucosyl-(1right4)-N-acetyl-D; -glucosaminyl undecaprenyl diphosphate. ChEBI CHEBI:59985

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: 18
#H bond donors: 9
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 16.03
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 70850.01
ACD/KOC (pH 5.5): 5462.71
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 69196.57
ACD/KOC (pH 7.4): 5335.22
Polar Surface Area: 306 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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