Cas no 153088-71-2 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy-)

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy- structure
153088-71-2 structure
Product Name:D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy-
CAS No:153088-71-2
MF:C20H35NO18S
MW:609.552807092667
CID:99032
PubChem ID:5289352
Update Time:2025-04-18

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy- Chemical and Physical Properties

Names and Identifiers

    • [(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen
    • 3'-SULFATED LEWIS A
    • [3OSO3]Galbeta1-3(Fucalpha1-4)GlcNAcbeta
    • 1fwv
    • 3)]-2-(acetylamino)-2-deoxy-
    • 3...
    • SGA-(1-3)MAG-(4-1)FUC
    • sulfo Lewis a
    • LEWIS-A TRISACCHARIDE 3'-SULFATE
    • 3'-O-SULPHONATO-LEWISA SODIUM SALT
    • 3'-O-SULFONATO LEWIS A, SODIUM SALT
    • 3'-(SO3H)GAL-BETA1-3(FUC-ALPHA1-4)GLCNAC
    • 3'-(O-SO3NA)GAL-BETA1,3(FUC-ALPHA1,4)GLCNAC, NA
    • 3''-SULFATED LEWIS A [3''-(SO3H)GAL-SS1-3(FUC-ALPHA1-4)GLCNAC ]SULFO LEWIS A
    • alpha-L-fucopyranosyl-(1->4)-[3-O-sulfo-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
    • alpha-L-Fuc-(1->4)-[beta-D-Gal3S-(1->3)]-beta-D-GlcNAc
    • alpha-L-Fucp-(1->4)-[beta-D-Galp3S-(1->3)]-beta-D-GlcpNAc
    • (3S)Galb1-3(Fuca1-4)GlcNAcb
    • Q27133695
    • 153088-71-2
    • [(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
    • 6-deoxy-alpha-L-galactopyranosyl-(1->4)-[3-O-sulfo-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
    • CHEBI:65149
    • alpha-L-fucosyl-(1->4)-[3-O-sulfo-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosamine
    • DTXSID60415358
    • (3S)Galbeta1-3(Fucalpha1-4)GlcNAcbeta
    • D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy-
    • Inchi: 1S/C20H35NO18S/c1-5-10(25)12(27)13(28)19(34-5)37-15-8(4-23)35-18(30)9(21-6(2)24)16(15)38-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H,31,32,33)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20-/m0/s1
    • InChI Key: ABZKLZZRLAPTDK-JGMUFZQJSA-N
    • SMILES: S(=O)(=O)(O)O[C@H]1[C@H]([C@@H](CO)O[C@H]([C@@H]1O)O[C@@H]1[C@H]([C@H](O)O[C@H](CO)[C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](C)O1)O)O)O)NC(C)=O)O

Computed Properties

  • Exact Mass: 645.15500
  • Monoisotopic Mass: 609.15748444g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 9
  • Complexity: 950
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.2
  • Topological Polar Surface Area: 309?2

Experimental Properties

  • PSA: 311.90000
  • LogP: -5.05530

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®3)]-2-(acetylamino)-2-deoxy- Pricemore >>

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