Trisodium 2-acetamido-2-deoxy-4-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-D-glucopyranose
[CAS# 136098-00-5]

Identification

• Name: Trisodium 2-acetamido-2-deoxy-4-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-D-glucopyranose
• Synonyms: Heparin disaccharide I-A sodium salt; HEPARINDISACCHARIDEI-ASODIUM
• Molecular Formula: C₁₄H₁₈NNa₃O₁₇S₂
• Molecular Weight: 605.39
• CAS Registry Number: 136098-00-5
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)O[C@@H]2[C@@H](O)/C=C(\O[C@H]2O[C@@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)COS([O-])(=O)=O)C([O-])=O
• InChI: 1S/C14H21NO17S2.3Na/c1-4(16)15-8-9(18)11(7(29-13(8)21)3-28-33(22,23)24)31-14-10(32-34(25,26)27)5(17)2-6(30-14)12(19)20;;;/h2,5,7-11,13-14,17-18,21H,3H2,1H3,(H,15,16)(H,19,20)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/t5-,7+,8+,9+,10+,11+,13?,14-;;;/m0.../s1
• InChIKey: WRWNGZNBPYOKPM-NYNVPWSXSA-K

Properties

• Refractive index: (Cal.)