ChemSpider 2D Image | 2-Acetamido-2,6-dideoxy-3-O-(2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronosyl)-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}phosphoryl)oxy]phosphoryl}-D-galactopyranose | C73H119N3O17P2

2-Acetamido-2,6-dideoxy-3-O-(2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl)-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}phosphoryl)oxy]phosphoryl}-D-galactopyranose

  • Molecular FormulaC73H119N3O17P2
  • Average mass1372.683 Da
  • Monoisotopic mass1371.801514 Da
  • ChemSpider ID26332707

  • 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-2,6-dideoxy-3-O-(2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl)-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}phosphoryl)oxy]phosphoryl}-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2,6-didesoxy-3-O-(2,3-diacetamido-2,3-didesoxy-β-D-mannopyranuronosyl)-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}phosphoryl)oxy]phosphoryl}-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2,6-didésoxy-3-O-(2,3-diacétamido-2,3-didésoxy-β-D-mannopyranuronosyl)-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-undécaméthyl-2,6,10, 14,18,22,26,30,34,38,42-tétratétracontaundécaén-1-yl]oxy}phosphoryl)oxy]phosphoryl}-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, 2-(acetylamino)-3-O-[2,3-bis(acetylamino)-2,3-dideoxy-β-D-mannopyranuronosyl]-2,6-dideoxy-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]- [ACD/Index Name]
2,3-diacetamido-2,3-dideoxy-β-D-mannosyl-(1->3)-N-acetyl-D-fucosaminyl undecaprenyl diphosphate
2-acetamido-2,6-dideoxy-3-O-(2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl)-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-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-D-galactopyranose
missing
β-D-ManNAc3NAcA-(1->3)-D-FucNAc undecaprenyl diphosphate
  • Miscellaneous

    • Chemical Class:

      A polyprenyl phospho oligosaccharide consisting of undecaprenyl diphosphate and 2,3-diacetamido-2,3-dideoxy-<stereo>beta</stereo>-<stereo>D</stereo>-mannosyl-(1<arrow>right</arrow>3)-<element>N</eleme nt>-acetyl-<stereo>D</stereo>-fucosamine components connected by a glycosyl diphosphate linkage. ChEBI CHEBI:62435
      A polyprenyl phospho oligosaccharide consisting of undecaprenyl diphosphate and 2,3-diacetamido-2,3-dideoxy-beta-D-mannosyl-(1->3)-N-acetyl-D-fucosamine components connected by a glycosyl diphosphate linkage. ChEBI CHEBI:62435
      A polyprenyl phospho oligosaccharide consisting of undecaprenyl diphosphate and 2,3-diacetamido-2,3-dideoxy-beta-D-mannosyl-(1right3)-N-acetyl-D-fucosamine components connected by a glycosyl diphospha te linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62435

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: 1.549
Molar Refractivity: 375.3±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 18.11
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 111005.46
ACD/KOC (pH 5.5): 3331.02
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 107737.59
ACD/KOC (pH 7.4): 3232.96
Polar Surface Area: 315 Å2
Polarizability: 148.8±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 1179.2±5.0 cm3

Click to predict properties on the Chemicalize site


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