N-Acetylneuramin-Lactose
[CAS# 35890-39-2]

Identification

• Name: N-Acetylneuramin-Lactose
• Synonyms: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Oxobutoxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(1R,2R,3R)-1-[(1R)-1,2-Dihydroxyethyl]-2,3-Dihydroxy-4-Keto-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₃H₃₉NO₁₉
• Molecular Weight: 633.56
• CAS Registry Number: 35890-39-2
• SMILES: [C@H]2(NC(=O)C)[C@@H](O[C@](OC[C@H]1O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O)(C[C@@H]2O)C(O)=O)[C@H](O)[C@H](O)CO
• InChI: 1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
• InChIKey: VMWYCXKMRSTDSP-GIGDJUIZSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 1134.853°C at 760 mmHg (Cal.)
• Flash point: 640.136°C (Cal.)