Methyl 4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-alpha-D-neuraminic acid methyl ester
[CAS# 116450-06-7]

Identification

• Name: Methyl 4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-alpha-D-neuraminic acid methyl ester
• Synonyms: Methyl4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-a-D-neuraminic acidmethylester
• Molecular Formula: C₂₁H₃₁NO₁₂S
• Molecular Weight: 521.54
• CAS Registry Number: 116450-06-7
• SMILES: O=C(OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(SC)(C(=O)OC)C[C@H](OC(=O)C)[C@H]1NC(=O)C)C
• InChI: 1S/C21H31NO12S/c1-10(23)22-17-15(31-12(3)25)8-21(35-7,20(28)29-6)34-19(17)18(33-14(5)27)16(32-13(4)26)9-30-11(2)24/h15-19H,8-9H2,1-7H3,(H,22,23)/t15-,16+,17+,18+,19-,21?/m0/s1
• InChIKey: VUDPJAWMOISBAC-RHLLJPMISA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 609.915°C at 760 mmHg (Cal.)
• Flash point: 322.665°C (Cal.)
• Refractive index: 1.516 (Cal.)