3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-5,10,15,20,22,24-Hexahydroporphyrin-2,7,12,18-Tetrayl]Tetrapropanoic Acid
[CAS# 53790-14-0]

Identification

• Name: 3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-5,10,15,20,22,24-Hexahydroporphyrin-2,7,12,18-Tetrayl]Tetrapropanoic Acid
• Synonyms: 2,7,12,18-Porphinetetrapropionic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-; 2,7,12,18-Porphinetetrapropionic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro- (8CI); 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro- (9CI)
• Molecular Formula: C₄₀H₄₄N₄O₁₆
• Molecular Weight: 836.79
• CAS Registry Number: 53790-14-0
• SMILES: O=C(O)CCc1c(c5nc1Cc2nc(c(c2CCC(=O)O)CC(=O)O)Cc3c(c(c(n3)Cc4c(c(c(n4)C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O
• InChI: 1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
• InChIKey: HUHWZXWWOFSFKF-UHFFFAOYSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 1163.602°C at 760 mmHg (Cal.)
• Flash point: 657.523°C (Cal.)