Products 136098-04-9

CAS 136098-04-9 appears in our catalog under these names: Heparin disaccharide I-H trisodium salt, Heparin disaccharide I-H trisodium salt, ≥98%, ≥98%. Offered by: Biosynth, Chemat. Available pack sizes: 2mg, 1mg, 5mg, 10mg.

Structural formula: {0} (CAS {1})

Trisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate (CAS 136098-04-9) is a chemical compound with the molecular formula C12H16NNa3O16S2 and a molecular weight of 563.4 g/mol. IUPAC name: trisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate. InChIKey: WHYGSGRAJJCXLY-LXROVJCJSA-K.

Identity
Molecular formulaC12H16NNa3O16S2
Molecular weight563.4 g/mol
IUPAC nametrisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
InChIKeyWHYGSGRAJJCXLY-LXROVJCJSA-K
SMILESC1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](OC([C@@H]([C@H]2O)N)O)COS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)