2-Amino-4-Oxo-4-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Amino]Butanoic Acid
[CAS# 77437-53-7]

Identification

• Name: 2-Amino-4-Oxo-4-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Amino]Butanoic Acid
• Synonyms: 2-Amino-4-Oxo-4-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Amino]Butanoic Acid; 2-Amino-4-Oxo-4-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Amino]Butanoic Acid; 2-Amino-4-Keto-4-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxymethyl]Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Amino]Butyric Acid
• Molecular Formula: C₂₂H₃₈N₂O₁₈
• Molecular Weight: 618.54
• CAS Registry Number: 77437-53-7
• SMILES: C(O)C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)NC(CC(N)C(O)=O)=O)O)O)O)O)O)O)O)O)O
• InChI: 1S/C22H38N2O18/c23-5(20(36)37)1-9(26)24-19-16(33)13(30)11(28)7(40-19)3-38-22-18(35)15(32)12(29)8(42-22)4-39-21-17(34)14(31)10(27)6(2-25)41-21/h5-8,10-19,21-22,25,27-35H,1-4,23H2,(H,24,26)(H,36,37)
• InChIKey: XAEJMJVSTDBWLA-UHFFFAOYSA-N

Properties

• Density: 1.778g/cm³ (Cal.)
• Boiling point: 1051.141°C at 760 mmHg (Cal.)
• Flash point: 589.509°C (Cal.)