ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-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-tetratetracont aundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose | C69H115NO17P2

2-Acetamido-2-deoxy-3-O-β-D-galactopyranosyl-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-tetratetracont aundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose

  • Molecular FormulaC69H115NO17P2
  • Average mass1292.595 Da
  • Monoisotopic mass1291.764038 Da
  • ChemSpider ID29368149

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-β-D-galactopyranosyl-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-tetratetracont aundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-β-D-galactopyranosyl-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-tetratetracon taundecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-β-D-galactopyranosyl-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-tétratétracon taundécaén-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-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-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-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}-α-D-glucopyranose
missing
β-D-Gal-(1->3)-α-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
β-D-Gal-(1->3)-α-D-GlcNAc-diphospho-ditrans,polycis-undecaprenol
  • Miscellaneous

    • Chemical Class:

      A polyprenyl phospho oligosaccharide that consists of a <stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-GlcNAc moiety linked via a dipho spho group to <ital>ditrans</ital>,<ital>octacis</ital>-undecaprenol. ChEBI CHEBI:74028
      A polyprenyl phospho oligosaccharide that consists of a beta-D-Gal-(1->3)-alpha-D-GlcNAc moiety linked via a diphospho group to ditrans,octacis-undecaprenol. ChEBI CHEBI:74028
      A polyprenyl phospho oligosaccharide that consists of a beta-D-Gal-(1right3)-alpha-D-GlcNAc moiety linked via a dipho; spho group to ditrans,octacis-undecaprenol. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74028

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: 1.555
Molar Refractivity: 353.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 16.08
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 56597.30
ACD/KOC (pH 5.5): 4651.43
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 55276.54
ACD/KOC (pH 7.4): 4542.89
Polar Surface Area: 300 Å2
Polarizability: 140.2±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 1102.5±5.0 cm3

Click to predict properties on the Chemicalize site


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