N-[(2R,3R,4R,5S,6S)-2-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methoxyoxan-4-Yl]Oxy-4,5-Dihydroxy-6-(Sulfanylmethyl)Oxan-3-Yl]Acetamide
[CAS# 145633-28-9]

Identification

• Name: N-[(2R,3R,4R,5S,6S)-2-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methoxyoxan-4-Yl]Oxy-4,5-Dihydroxy-6-(Sulfanylmethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2R,3R,4R,5S,6S)-2-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methoxy-Tetrahydropyran-4-Yl]Oxy-4,5-Dihydroxy-6-(Sulfanylmethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methoxy-4-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Mercaptomethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-Methoxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4,5-Dihydroxy-6-(Mercaptomethyl)Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₁₅H₂₇NO₁₀S
• Molecular Weight: 413.44
• CAS Registry Number: 145633-28-9
• SMILES: [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS)O)O)NC(=O)C
• InChI: 1S/C15H27NO10S/c1-5(18)16-8-11(21)9(19)7(4-27)25-14(8)26-13-10(20)6(3-17)24-15(23-2)12(13)22/h6-15,17,19-22,27H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9-,10+,11-,12-,13+,14+,15-/m1/s1
• InChIKey: KJOLNSMZEBPAIX-MUHRKBNZSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 766.117°C at 760 mmHg (Cal.)
• Flash point: 417.133°C (Cal.)