ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2 -deoxy-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2,4-diacetamido-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,4 3-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose | C111H181N7O41P2

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2 -deoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2,4-diacetamido-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,4 3-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose

  • Molecular FormulaC111H181N7O41P2
  • Average mass2331.596 Da
  • Monoisotopic mass2330.177979 Da
  • ChemSpider ID28533252

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 35 of 35 defined stereocentres

More details:

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

α-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-al pha-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-2,4-bis(acetylamino)-2,4,6-trideoxy-1-O-[hydroxy[[hydr oxy[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E) [ACD/Index Name]
[α-D-GalNAc-(1->4)]2-[β-D-Glc-(1->3)]-[α-D-GalNAc-(1->4)]2-α-D-GalNAc-(1->3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
[α-D-GalNAc-(1->4)]2-[β-D-Glc-(1->3)]-[α-D-GalNAc-(1->4)]2-α-D-GalNAc-(1->3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-)
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)]-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2
missing
α-D-GalNAc-(1->4)-α-D-GalNAc-(1->;4)-[β-D-Glc-(1->;3)]-α-D-GalNAc-(1->4)-α-D-GalNAc-(1->4)-α-D-GalNAc-(1->3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
α-D-GalNAc-(1->4)-α-D-GalNAc-(1->;4)-[β-D-Glc-(1->;3)]-α-D-GalNAc-(1->4)-α-D-GalNAc-(1->4)-α-D-GalNAc-(1->3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritr ans,heptacis-undecaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:68654
      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [alpha-D-GalNAc-(1right4)]2-[beta-D-Glc-(1right3)]-[alpha-D-GalNAc-(1right4)]2-alpha-D-GalN; Ac-(1right3)-alpha-D- diNAcBac-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3. ChEBI CHEBI:68654

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: 48
#H bond donors: 23
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 21.21
ACD/KOC (pH 5.5): 16.36
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 20.94
ACD/KOC (pH 7.4): 16.15
Polar Surface Area: 734 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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