2-deoxy-4-O-(4-deoxyhex-4-enopyranuronosyl)-2-(sulfoamino)-Hexose 6-(hydrogen sulfate) sodium salt (1:1)
[CAS# 136098-05-0]

Identification

• Name: 2-deoxy-4-O-(4-deoxyhex-4-enopyranuronosyl)-2-(sulfoamino)-Hexose 6-(hydrogen sulfate) sodium salt (1:1)
• Synonyms: (α-δUA-[1-> 4]-GlcNS-6S); Heparin disaccharide II-S sodium salt
• Molecular Formula: C₁₂H₁₉NNaO₁₆S₂
• Molecular Weight: 520.40
• CAS Registry Number: 136098-05-0
• SMILES: C1=C(OC(C(C1O)O)OC(C(COS(=O)(=O)O)O)C(C(C=O)NS(=O)(=O)O)O)C(=O)O.[Na]
• InChI: 1S/C12H19NO16S2.Na/c14-2-4(13-30(21,22)23)8(17)10(6(16)3-27-31(24,25)26)29-12-9(18)5(15)1-7(28-12)11(19)20;/h1-2,4-6,8-10,12-13,15-18H,3H2,(H,19,20)(H,21,22,23)(H,24,25,26)
• InChIKey: YSFOXIFCPZNBSI-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)