Products 136098-03-8

CAS 136098-03-8 appears in our catalog under these names: Heparin Disaccharide III-S Trisodium Salt, Heparin disaccharide III-S trisodium sal, t, 1 mg, Heparin disaccharide III-S trisodium sal, t, 2 mg, Heparin disaccharide III-S trisodium sal, t, 5 mg. Offered by: Chemat Brand, Biosynth, Roth. Available pack sizes: on request, 2mg, 1mg, 5mg.

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

Trisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate (CAS 136098-03-8) 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)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate. InChIKey: KNWWWYJQBVFLQC-LXROVJCJSA-K.

Identity
Molecular formulaC12H16NNa3O16S2
Molecular weight563.4 g/mol
IUPAC nametrisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
InChIKeyKNWWWYJQBVFLQC-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)NS(=O)(=O)[O-])O)CO)C(=O)[O-].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)