ChemSpider 2D Image | 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, 27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose | C81H132N4O21P2

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, 27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose

  • Molecular FormulaC81H132N4O21P2
  • Average mass1559.878 Da
  • Monoisotopic mass1558.887085 Da
  • ChemSpider ID28533249

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

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, 27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-2,4-diacetamido-2,4,6-tridesoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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}-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-2,4-diacétamido-2,4,6-tridésoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 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[[hydroxy[[(2 Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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(2-) [ACD/Index Name]
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)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose
missing
N-acetyl-α-D-galactosaminyl-(1->4)-N-acetyl-α-D-galactosaminyl-(1->3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate
N-acetyl-α-D-galactosaminyl-(1->4)-N-acetyl-α-D-galactosaminyl-(1->3)-N,N'-diacetyl-α-D-bacillosaminyl-tri-trans,heptacis-undecaprenyl diphosphate
N-acetyl-α-D-galactosaminyl-(1->4)-N-acetyl-α-D-galactosaminyl-(1->3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-)
α-D-GalNAc-(1->4)-α-D-GalNAc-(1->;3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
More...
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate; major spe cies at pH 7.3. ChEBI CHEBI:68651
      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-GalNAc-(1right4)-alpha-D-GalNAc-(1right3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate; maj or species at pH 7.3. ChEBI CHEBI:68651

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: 25
#H bond donors: 11
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 17.33
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 71082.59
ACD/KOC (pH 5.5): 5458.88
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 70162.27
ACD/KOC (pH 7.4): 5388.21
Polar Surface Area: 391 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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