ChemSpider 2D Image | beta-D-Mannopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-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]phosphinato}-alpha-D-glucopyranose | C85H137O33P2

β-D-Mannopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-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]phosphinato}-α-D-glucopyranose

  • Molecular FormulaC85H137O33P2
  • Average mass1748.927 Da
  • Monoisotopic mass1747.853394 Da
  • ChemSpider ID26332168

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 25 of 25 defined stereocentres

More details:

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

α-D-Glucopyranose, O-β-D-mannopyranosyl-(1->4)-O-β-D-glucopyranuronosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->4)-1-O-[hydroxy[[hydroxy[[(2Z,6Z,10Z,14Z,18Z,22Z,26 Z,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]-, ion(3-) [ACD/Index Name]
β-D-Mannopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-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]phosphinato}-α-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-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]phosphinato}-α-D-glucopyranose [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->2)-α-D-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-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]phosphinato}-α-D-glucopyranose [French] [ACD/IUPAC Name]
D-Manp-β-(1->4)-D-GlcpA-β-(1->2)-D-Manp-α-(1->3)-D-Glcp-β-(1->4)-D-Glcp-α-1-diphospho-ditrans,octacis-undecaprenol(3-)
D-Man-β-(1->4)-D-GlcA-β-(1->2)-D-Man-α-(1->3)-D-Glc-β-(1->4)-D-Glc-α-1-diphospho-ditrans,octacis-undecaprenol(3-)
missing
β-D-Man-(1->4)-β-D-GlcA-(1->2)-α-D-Man-(1->3)-β-D-Glc-(1->4)-α-D-Glc-1-diphospho-ditrans,octacis-undecaprenol
β-D-Man-(1->4)-β-D-GlcA-(1->2)-α-D-Man-(1->3)-β-D-Glc-(1->4)-α-D-Glc-1-diphospho-di-trans,octa-cis-undecaprenol
β-D-Man-(1->4)-β-D-GlcA-(1->2)-α-D-Man-(1->3)-β-D-Glc-(1->4)-α-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3-)
More...
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the trianion of beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deproton ation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3. ChEBI CHEBI:61230
      An organophosphate oxoanion that is the trianion of beta-D-Man-(1right4)-beta-D-GlcA-(1right2)-alpha-D-Man-(1right3)-beta-D-Glc-(1right4)-alpha-D-Glc-1-diphospho-di; trans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3. ChEBI CHEBI:61230

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

Density:
Boiling Point: 1481.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 255.6±6.0 kJ/mol
Flash Point: 849.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 33
#H bond donors: 18
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 4
ACD/LogP: 17.50
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 72.35
ACD/KOC (pH 5.5): 17.44
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 70.53
ACD/KOC (pH 7.4): 17.00
Polar Surface Area: 554 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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