3-O-(2-Acetamido-2-Deoxygalactopyranosyl)-Acetyl-Threonyl-Alanyl-Alanine Methyl Ester
[CAS# 125316-77-0]

Identification

• Name: 3-O-(2-Acetamido-2-Deoxygalactopyranosyl)-Acetyl-Threonyl-Alanyl-Alanine Methyl Ester
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Propanoyl]Amino]Propanoate; (2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-[[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Propanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Butanoyl]Amino]Propanoyl]Amino]Propionic Acid Methyl Ester
• Molecular Formula: C₂₁H₃₆N₄O₁₁
• Molecular Weight: 520.54
• CAS Registry Number: 125316-77-0
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC(=O)C)[C@@H](C)O[C@@H]1[C@@H]([C@@H](O)[C@@H](O)[C@H](O1)CO)NC(=O)C)=O)C)=O)C
• InChI: 1S/C21H36N4O11/c1-8(18(31)23-9(2)20(33)34-6)22-19(32)14(24-11(4)27)10(3)35-21-15(25-12(5)28)17(30)16(29)13(7-26)36-21/h8-10,13-17,21,26,29-30H,7H2,1-6H3,(H,22,32)(H,23,31)(H,24,27)(H,25,28)/t8-,9-,10+,13+,14-,15+,16-,17+,21-/m0/s1
• InChIKey: QFTWCPDZXGYNJL-FZKFWNPXSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 920.677°C at 760 mmHg (Cal.)
• Flash point: 510.607°C (Cal.)