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Search term: PSONHUYFSWYIME-QSIPGKSISA-K (Found by InChIKey (full match))

ChemSpider 2D Image | alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-) | C79H126N3O22P2

α-D-FucNAc4-(1->4)-β-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-)

  • Molecular FormulaC79H126N3O22P2
  • Average mass1531.802 Da
  • Monoisotopic mass1530.832520 Da
  • ChemSpider ID26332244
  • 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

4-Acetamido-4,6-dideoxy-α-D-galactopyranosyl-(1->4)-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-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]
4-Acetamido-4,6-didesoxy-α-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-mannopyranuronosyl-(1->4)-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-glucopyranose [German] [ACD/IUPAC Name]
4-Acétamido-4,6-didésoxy-α-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-mannopyranuronosyl-(1->4)-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-glucopyranose [French] [ACD/IUPAC Name]
α-D-FucNAc4-(1->4)-β-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-)
α-D-Glucopyranose, O-4-(acetylamino)-4,6-dideoxy-α-D-galactopyranosyl-(1->;4)-O-2-(acetylamino)-2-deoxy-β-D-mannopyranuronosyl-(1->4)-2-(acetylamino)-2-deoxy-1-O-[hydroxy[[hydroxy[[(2Z,6Z,10 Z,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]-, ion(3-) [ACD/Index Name]
<i>N</i>;-acetyl-&α;-D-fucosyl-(1&rarr;4)-<i>N</i>-acetyl-&β;-D-mannosaminouronyl-(1&rarr;4)-&lt;i>N</i>-acetyl-&α;-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
4-acetamido-4,6-dideoxy-α-D-galactopyranosyl-(1->4)-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-Fuc4NAc
ECA-lipid III
lipid III
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:61496 [DBID]
  • Miscellaneous
    • Chemical Class:

      An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-undecaprenyl diphosphate; major species a t pH 7.3. ChEBI CHEBI:61496
      An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of alpha-D-FucNAc4-(1right4)-beta-D-ManNAcA-(1right4)-alpha-D-GlcNAc-undecaprenyl diphosphate; major spe cies at pH 7.3. ChEBI CHEBI:61496

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: 25
#H bond donors: 11
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 18.50
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 15637.87
ACD/KOC (pH 5.5): 817.68
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 15267.26
ACD/KOC (pH 7.4): 798.30
Polar Surface Area: 402 Å2
Polarizability:
Surface Tension:
Molar Volume:

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