4-[4-[(4-Carboxy-2,3-Dihydroxybenzoyl)Amino]Butyl-[3-[(4-Carboxy-2,3-Dihydroxybenzoyl)Amino]Propyl]Carbamoyl]-2,3-Dihydroxybenzoic Acid
[CAS# 75956-68-2]

Identification

• Name: 4-[4-[(4-Carboxy-2,3-Dihydroxybenzoyl)Amino]Butyl-[3-[(4-Carboxy-2,3-Dihydroxybenzoyl)Amino]Propyl]Carbamoyl]-2,3-Dihydroxybenzoic Acid
• Synonyms: 4-[4-[(4-Carboxy-2,3-Dihydroxy-Benzoyl)Amino]Butyl-[3-[(4-Carboxy-2,3-Dihydroxy-Benzoyl)Amino]Propyl]Carbamoyl]-2,3-Dihydroxy-Benzoic Acid; 4-[[4-[[(4-Carboxy-2,3-Dihydroxyphenyl)-Oxomethyl]Amino]Butyl-[3-[[(4-Carboxy-2,3-Dihydroxyphenyl)-Oxomethyl]Amino]Propyl]Amino]-Oxomethyl]-2,3-Dihydroxybenzoic Acid; 4-[4-[(4-Carboxy-2,3-Dihydroxy-Phenyl)Carbonylamino]Butyl-[3-[(4-Carboxy-2,3-Dihydroxy-Phenyl)Carbonylamino]Propyl]Carbamoyl]-2,3-Dihydroxy-Benzoic Acid
• Molecular Formula: C₃₁H₃₁N₃O₁₅
• Molecular Weight: 685.60
• CAS Registry Number: 75956-68-2
• SMILES: C1=C(C(=C(O)C(=C1)C(=O)O)O)C(=O)N(CCCNC(=O)C2=CC=C(C(=C2O)O)C(=O)O)CCCCNC(=O)C3=CC=C(C(=C3O)O)C(=O)O
• InChI: 1S/C31H31N3O15/c35-20-14(4-7-17(23(20)38)29(44)45)26(41)32-10-1-2-12-34(28(43)16-6-9-19(31(48)49)25(40)22(16)37)13-3-11-33-27(42)15-5-8-18(30(46)47)24(39)21(15)36/h4-9,35-40H,1-3,10-13H2,(H,32,41)(H,33,42)(H,44,45)(H,46,47)(H,48,49)
• InChIKey: XPKJIQPHKHFKFW-UHFFFAOYSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 1006.795°C at 760 mmHg (Cal.)
• Flash point: 562.689°C (Cal.)