2-deoxy-4-O-(4-deoxy-2-O-sulfohex-4-enopyranuronosyl)-2-(sulfoamino)-Hexose 6-(hydrogen sulfate) sodium salt (1:1)
[CAS# 136098-10-7]

Identification

• Name: 2-deoxy-4-O-(4-deoxy-2-O-sulfohex-4-enopyranuronosyl)-2-(sulfoamino)-Hexose 6-(hydrogen sulfate) sodium salt (1:1)
• Synonyms: (α-δUA-2S-[1-> 4]-GlcNS-6S); Heparin disaccharide I-S sodium salt; H9267_SIGMA
• Molecular Formula: C₁₂H₁₉NNaO₁₉S₃
• Molecular Weight: 600.46
• CAS Registry Number: 136098-10-7
• SMILES: C1=C(OC(C(C1O)OS(=O)(=O)O)OC(C(COS(=O)(=O)O)O)C(C(C=O)NS(=O)(=O)O)O)C(=O)O.[Na]
• InChI: 1S/C12H19NO19S3.Na/c14-2-4(13-33(20,21)22)8(17)9(6(16)3-29-34(23,24)25)31-12-10(32-35(26,27)28)5(15)1-7(30-12)11(18)19;/h1-2,4-6,8-10,12-13,15-17H,3H2,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)
• InChIKey: NQBRSLPUXDFPBG-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)