ChemSpider 2D Image | 4-O-beta-D-Glucopyranosyl-1-O-{[({[(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}phosphinato)oxy]p hosphinato}-alpha-D-glucopyranose | C67H110O17P2

4-O-β-D-Glucopyranosyl-1-O-{[({[(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}phosphinato)oxy]p hosphinato}-α-D-glucopyranose

  • Molecular FormulaC67H110O17P2
  • Average mass1249.529 Da
  • Monoisotopic mass1248.722900 Da
  • ChemSpider ID26332171

  • Charge - Charge

    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

4-O-β-D-Glucopyranosyl-1-O-{[({[(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}phosphinato)oxy]p hosphinato}-α-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-1-O-{[({[(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}phosphinato)oxy]p hosphinato}-α-D-glucopyranose [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-1-O-{[({[(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}phosphinato)oxy]p hosphinato}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 4-O-β-D-glucopyranosyl-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]phosphinyl]oxy]phosphinyl]-, ion(2-) [ACD/Index Name]
missing
β-D-Glc-(1->4)-α-D-Glc-1-diphospho-ditrans,octacis-undecaprenol
β-D-Glc-(1->4)-α-D-Glc-1-diphospho-di-trans,octa-cis-undecaprenol
β-D-Glc-(1->4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(2-)
β-D-Glc-(1->4)-α-D-Glc-di-trans,octa-cis-undecaprenyl diphosphate
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the dianion of beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups; major species a t pH 7.3. ChEBI CHEBI:61247
      An organophosphate oxoanion that is the dianion of beta-D-Glc-(1right4)-alpha-D-Glc-1-diphospho-ditrans,; polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups; major spec ies at pH 7.3. ChEBI CHEBI:61247

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

Density:
Boiling Point: 1135.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.1±6.0 kJ/mol
Flash Point: 640.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 16.80
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 137175.38
ACD/KOC (pH 5.5): 8737.53
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 135488.88
ACD/KOC (pH 7.4): 8630.10
Polar Surface Area: 297 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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