ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-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-galactopyranose | C77H126N2O22P2

β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-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-galactopyranose

  • Molecular FormulaC77H126N2O22P2
  • Average mass1493.773 Da
  • Monoisotopic mass1492.828857 Da
  • ChemSpider ID29368129

  • Charge - Charge

    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

α-D-Galactopyranose, O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-1-O-[hydroxy[[hydroxy[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38 E)-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(2-) [ACD/Index Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-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-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-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-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-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-galactopyranose [French] [ACD/IUPAC Name]
missing
β-D-Gal-(1->3)-α-D-GalNAc-(1->3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol
β-D-Gal-(1->3)-α-D-GalNAc-(1->3)-α-D-GalNAc-diphospho-di-trans,octa-cis-undecaprenol
β-D-Gal-(1->3)-α-D-GalNAc-(1->3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2-)
β-D-Gal-(1->3)-α-D-GalNAc-(1->3)-α-D-GalNAc-diphospho-ditrans,polycis-undecaprenol(2-)
β-D-Gal-(1->3)-α-D-GalNAc-(1->3)-α-D-GalNAc-di-trans,octa-cis-undecaprenyl diphosphate
More...
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol. ChEBI CHEBI:73988
      An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1right3)-alpha-D-GalNAc-(1right3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol. ChEBI CHEBI:73988

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 15.39
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 3249.57
ACD/KOC (pH 5.5): 599.78
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 3207.50
ACD/KOC (pH 7.4): 592.01
Polar Surface Area: 394 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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