5-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]Hexanediamide
[CAS# 78654-44-1]

Identification

• Name: 5-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]Hexanediamide
• Synonyms: 5-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl-Butyl]Hexanediamide; 5-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-3-Isochromanyl)-3-Methylbutyl]Hexanediamide; 5-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Keto-Isochroman-3-Yl)-3-Methyl-Butyl]Adipamide
• Molecular Formula: C₂₀H₂₉N₃O₇
• Molecular Weight: 423.47
• CAS Registry Number: 78654-44-1
• SMILES: C1=CC=C(C2=C1CC(OC2=O)C(NC(C(C(CC(C(N)=O)N)O)O)=O)CC(C)C)O
• InChI: 1S/C20H29N3O7/c1-9(2)6-12(23-19(28)17(26)14(25)8-11(21)18(22)27)15-7-10-4-3-5-13(24)16(10)20(29)30-15/h3-5,9,11-12,14-15,17,24-26H,6-8,21H2,1-2H3,(H2,22,27)(H,23,28)
• InChIKey: LNIUBVSXHPTWQQ-UHFFFAOYSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 856.683°C at 760 mmHg (Cal.)
• Flash point: 471.905°C (Cal.)