2-[3-Acetamido-2-[3-Acetamido-2-[3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-5-Hydroxy-6-Methyloxan-4-Yl]Oxy-6-(Acetyloxymethyl)-5-Hydroxyoxan-4-Yl]Oxypropanoic Acid
[CAS# 132194-17-3]

Identification

• Name: 2-[3-Acetamido-2-[3-Acetamido-2-[3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-5-Hydroxy-6-Methyloxan-4-Yl]Oxy-6-(Acetyloxymethyl)-5-Hydroxyoxan-4-Yl]Oxypropanoic Acid
• Synonyms: 2-[3-Acetamido-2-[3-Acetamido-2-[3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-5-Hydroxy-6-Methyl-Tetrahydropyran-4-Yl]Oxy-6-(Acetoxymethyl)-5-Hydroxy-Tetrahydropyran-4-Yl]Oxypropanoic Acid; 2-[[3-Acetamido-2-[[3-Acetamido-2-[[3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-5-Hydroxy-6-Methyl-4-Tetrahydropyranyl]Oxy]-6-(Acetoxymethyl)-5-Hydroxy-4-Tetrahydropyranyl]Oxy]Propanoic Acid; 2-[3-Acetamido-2-[3-Acetamido-2-(3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl)Oxy-5-Hydroxy-6-Methyl-Tetrahydropyran-4-Yl]Oxy-6-(Acetoxymethyl)-5-Hydroxy-Tetrahydropyran-4-Yl]Oxypropionic Acid
• Molecular Formula: C₂₉H₄₇N₃O₁₈
• Molecular Weight: 725.70
• CAS Registry Number: 132194-17-3
• SMILES: C(OC(C)=O)C3C(C(C(NC(C)=O)C(OC2C(C(C)OC(OC1C(NC(C)=O)C(O)OC(CO)C1O)C2NC(C)=O)O)O3)OC(C)C(=O)O)O
• InChI: 1S/C29H47N3O18/c1-9-20(38)24(18(31-12(4)35)28(46-9)49-23-17(30-11(3)34)27(43)47-15(7-33)21(23)39)50-29-19(32-13(5)36)25(45-10(2)26(41)42)22(40)16(48-29)8-44-14(6)37/h9-10,15-25,27-29,33,38-40,43H,7-8H2,1-6H3,(H,30,34)(H,31,35)(H,32,36)(H,41,42)
• InChIKey: PXNAZVMNQPLLQE-UHFFFAOYSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 1103.401°C at 760 mmHg (Cal.)
• Flash point: 621.115°C (Cal.)