Sodium 2-acetamido-2-deoxy-4-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-D-glucopyranose
[CAS# 136098-07-2]

Identification

• Name: Sodium 2-acetamido-2-deoxy-4-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-D-glucopyranose
• Synonyms: Heparin disaccharide IV-A sodium salt
• Molecular Formula: C₁₄H₂₀NNaO₁₁
• Molecular Weight: 401.30
• CAS Registry Number: 136098-07-2
• SMILES: [Na+].[O-]C(=O)C=2O[C@@H](O[C@@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)CO)[C@H](O)[C@@H](O)C=2
• InChI: 1S/C14H21NO11.Na/c1-4(17)15-8-10(20)11(7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22;/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22);/q;+1/p-1/t5-,7+,8+,9+,10+,11+,13?,14-;/m0./s1
• InChIKey: JFYRBENAXAIUCK-TWHLZWKQSA-M

Properties

• Boiling point: 828.8°C at 760 mmHg (Cal.)
• Flash point: 455°C (Cal.)
• Refractive index: (Cal.)