Methyl (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-chloro-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydro-2H-pyran-2-carboxylate
[CAS# 67670-69-3]

Identification

• Name: Methyl (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-chloro-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydro-2H-pyran-2-carboxylate
• Synonyms: N-Acetyl-2-chloro-2-deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate
• Molecular Formula: C₂₀H₂₈ClNO₁₂
• Molecular Weight: 509.89
• CAS Registry Number: 67670-69-3
• SMILES: O=C(OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@](Cl)(C(=O)OC)C[C@H](OC(=O)C)[C@H]1NC(=O)C)C
• InChI: 1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17+,18+,20-/m0/s1
• InChIKey: QGJGGAMXXWIKJR-DCDDNHAVSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 582.115°C at 760 mmHg (Cal.)
• Flash point: 305.852°C (Cal.)