Products 774531-07-6
CAS 774531-07-6 is the registry number for Idrabiotaparinux. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-4,5-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid (CAS 774531-07-6) is a chemical compound with the molecular formula C53H88N4O51S8 and a molecular weight of 1853.8 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-4,5-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid. InChIKey: MUQWDYYIYNYBQD-OFHININYSA-N.
| Molecular formula | C53H88N4O51S8 |
|---|---|
| Molecular weight | 1853.8 g/mol |
| IUPAC name | (2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-4,5-dimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid |
| InChIKey | MUQWDYYIYNYBQD-OFHININYSA-N |
| SMILES | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)NC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(=O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O |
Computed by PubChem (NCBI)