Sodium (4S,5R,6S)-4,5-Dihydroxy-6-[(2S,3R,4R,5R,6S)-2,4,5-Trihydroxy-6-Methyloxan-3-Yl]Oxy-5,6-Dihydro-4H-Pyran-2-Carboxylate
[CAS# 145039-76-5]

Identification

• Name: Sodium (4S,5R,6S)-4,5-Dihydroxy-6-[(2S,3R,4R,5R,6S)-2,4,5-Trihydroxy-6-Methyloxan-3-Yl]Oxy-5,6-Dihydro-4H-Pyran-2-Carboxylate
• Synonyms: Sodium (4S,5R,6S)-4,5-Dihydroxy-6-[(2S,3R,4R,5R,6S)-2,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-3-Yl]Oxy-5,6-Dihydro-4H-Pyran-2-Carboxylate; Sodium (4S,5R,6S)-4,5-Dihydroxy-6-[[(2S,3R,4R,5R,6S)-2,4,5-Trihydroxy-6-Methyl-3-Tetrahydropyranyl]Oxy]-5,6-Dihydro-4H-Pyran-2-Carboxylate; Sodium (4S,5R,6S)-4,5-Dihydroxy-6-[(2S,3R,4R,5R,6S)-2,4,5-Trihydroxy-6-Methyl-Oxan-3-Yl]Oxy-5,6-Dihydro-4H-Pyran-2-Carboxylate
• Molecular Formula: C₁₂H₁₇NaO₁₀
• Molecular Weight: 344.25
• CAS Registry Number: 145039-76-5
• SMILES: [C@@H]2(O[C@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2O)C.[Na+]
• InChI: 1S/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/p-1/t3-,4-,6-,7+,8+,9+,11-,12+;/m0./s1
• InChIKey: ZGUYXYAGTSSIIA-DUQBLKLASA-M

Properties

• Boiling point: 652.9°C at 760 mmHg (Cal.)
• Flash point: 249.1°C (Cal.)