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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose | C81H134N4O21P2

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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose

  • Molecular FormulaC81H134N4O21P2
  • Average mass1561.892 Da
  • Monoisotopic mass1560.901611 Da
  • ChemSpider ID28533277

  • 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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-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]- [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-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-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
α-D-GalNAc-(1->4)-α-D-GalNAc-(1->;3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
  • Miscellaneous

    • Chemical Class:

      A polyprenyl glycosyl phosphate consisting of the trisaccharide <stereo>alpha</stereo>-<stereo>D</stereo>-GalNAc-(1<arrow>right</arrow>4)-<stereo>alpha</stereo>-<stereo>D</stereo>-GalNAc-(1<arrow>righ t</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-diNAcBac linked via a diphospho group to <ital>tritrans</ital>,<ital>heptacis</ital>-undecaprenol. ChEBI CHEBI:68827
      A polyprenyl glycosyl phosphate consisting of the trisaccharide alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac linked via a diphospho group to tritrans,heptacis-undecaprenol. ChEBI CHEBI:68827
      A polyprenyl glycosyl phosphate consisting of the trisaccharide alpha-D-GalNAc-(1right4)-alpha-D-GalNAc-(1righ; t3)-alpha-D-diNAcBac linked via a diphospho group to tritrans,heptacis-undecaprenol. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68827

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 420.4±0.4 cm3
#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: 386 Å2
Polarizability: 166.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 1303.2±5.0 cm3

Click to predict properties on the Chemicalize site


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