3,8,13,18-Tetrakis(Carboxymethyl)-5,10,15,20,22,24-Hexahydro-21H,23H-Porphine-2,7,12,17-Tetrapropanoic Acid
[CAS# 1867-62-5]

Identification

• Name: 3,8,13,18-Tetrakis(Carboxymethyl)-5,10,15,20,22,24-Hexahydro-21H,23H-Porphine-2,7,12,17-Tetrapropanoic Acid
• Synonyms: Chebi:28766; 3,8,13,18-Tetrakis(Carboxymethyl)-5,10,15,20,22,24-Hexahydroporphyrin-2,7,12,17-Tetrapropanoic Acid; C05766
• Molecular Formula: C₄₀H₄₄N₄O₁₆
• Molecular Weight: 836.80
• CAS Registry Number: 1867-62-5
• SMILES: C(C1=C5[NH]C(=C1CC(O)=O)CC2=C(C(=C([NH]2)CC3=C(C(=C([NH]3)CC4=C(C(=C([NH]4)C5)CC(O)=O)CCC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O
• InChI: 1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)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: QTTNOSKSLATGQB-UHFFFAOYSA-N

Properties

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