2,3,4-Trihydroxy-N-[3-[(2,3,4-Trihydroxybenzoyl)Amino]Propyl]-N-[4-[(2,3,4-Trihydroxybenzoyl)-[3-[(2,3,4-Trihydroxybenzoyl)Amino]Propyl]Amino]Butyl]Benzamide
[CAS# 119493-62-8]

Identification

• Name: 2,3,4-Trihydroxy-N-[3-[(2,3,4-Trihydroxybenzoyl)Amino]Propyl]-N-[4-[(2,3,4-Trihydroxybenzoyl)-[3-[(2,3,4-Trihydroxybenzoyl)Amino]Propyl]Amino]Butyl]Benzamide
• Synonyms: 2,3,4-Trihydroxy-N-[3-[[Oxo-(2,3,4-Trihydroxyphenyl)Methyl]Amino]Propyl]-N-[4-[[Oxo-(2,3,4-Trihydroxyphenyl)Methyl]-[3-[[Oxo-(2,3,4-Trihydroxyphenyl)Methyl]Amino]Propyl]Amino]Butyl]Benzamide; 2,3,4-Trihydroxy-N-[3-[(2,3,4-Trihydroxyphenyl)Carbonylamino]Propyl]-N-[4-[(2,3,4-Trihydroxyphenyl)Carbonyl-[3-[(2,3,4-Trihydroxyphenyl)Carbonylamino]Propyl]Amino]Butyl]Benzamide; Benzamide, N,N'-1,4-Butanediylbis(2,3,4-Trihydroxy-N-(3-((2,3,4-Trihydroxybenzoyl)Amino)Propyl)-
• Molecular Formula: C₃₈H₄₂N₄O₁₆
• Molecular Weight: 810.77
• CAS Registry Number: 119493-62-8
• SMILES: C1=C(C(=C(O)C(=C1)O)O)C(=O)N(CCCCN(C(=O)C2=CC=C(O)C(=C2O)O)CCCNC(=O)C3=CC=C(O)C(=C3O)O)CCCNC(=O)C4=CC=C(O)C(=C4O)O
• InChI: 1S/C38H42N4O16/c43-23-9-5-19(27(47)31(23)51)35(55)39-13-3-17-41(37(57)21-7-11-25(45)33(53)29(21)49)15-1-2-16-42(38(58)22-8-12-26(46)34(54)30(22)50)18-4-14-40-36(56)20-6-10-24(44)32(52)28(20)48/h5-12,43-54H,1-4,13-18H2,(H,39,55)(H,40,56)
• InChIKey: NXLVZDKZEHSFRX-UHFFFAOYSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 1194.111°C at 760 mmHg (Cal.)
• Flash point: 675.974°C (Cal.)