Heparin disaccharide I-A trisodium salt

Catalog No. :
ACBTNV979
CAS No. :
136098-00-5
Molecular Formula :
C14H19NNa3O17S2+
Molecular Weight :
606.40

IUPAC Name:trisodium mono((2R,3R,4S)-2-(((2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-((sulfonatooxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-3-(sulfooxy)-3,4-dihydro-2H-pyran-6-carboxylate)

Heparin disaccharide I-A trisodium salt structure diagram
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Product Information

Product NameHeparin disaccharide I-A trisodium salt
IUPAC Nametrisodium mono((2R,3R,4S)-2-(((2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-((sulfonatooxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-3-(sulfooxy)-3,4-dihydro-2H-pyran-6-carboxylate)
MDL No.MFCD00466925
Molecular FormulaC14H19NNa3O17S2+
Molecular Weight606.40
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1O.[Na+].[Na+].[Na+]
InChI KeyWRWNGZNBPYOKPM-NYNVPWSXSA-L
Synonym(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
CAS No.136098-00-5
PubChem CID11365472

Synthetic Route by SureRoute

1. ACBTNV979 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACBTNV979 route product structure diagram
    ACBTNV979136098-00-5
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2. ACBTNV979 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACBTNV979 route product structure diagram
    ACBTNV979136098-00-5
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