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Search term: IGGGNUSEBUZFTR-YETNCWQZSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-) | C71H113N2O18P2

β-D-ManNAcA-(1->4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-)

  • Molecular FormulaC71H113N2O18P2
  • Average mass1344.609 Da
  • Monoisotopic mass1343.748047 Da
  • ChemSpider ID26332243

  • 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

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-mannopyranuronosyl)-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-tetr atetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-mannopyranuronosyl)-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-te tratetracontaundecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-mannopyranuronosyl)-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-té tratétracontaundécaén-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-mannopyranuronosyl]-2-deoxy-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-und ecamethyl-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-ManNAcA-(1->4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-)
2-acetamido-2-deoxy-β-D-mannopyranuronosyl-(1->4)-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-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-α-D-glucopyranose
C55-PP-GlcNAc-ManNAcA(3-)
lipid II(3-)
ManNAcA-GlcNAc-PP-lipid(3-)
ManNAcA-GlcNAc-pyrophosphorylundecaprenol(3-)
More...

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

CHEBI:61495 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7. 3. ChEBI CHEBI:61495
      An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of beta-D-ManNAcA-(1right4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3. ChEBI CHEBI:61495

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: 20
#H bond donors: 9
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 18.77
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 54177.92
ACD/KOC (pH 5.5): 1994.55
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 52477.09
ACD/KOC (pH 7.4): 1931.93
Polar Surface Area: 335 Å2
Polarizability:
Surface Tension:
Molar Volume:

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