3,3',3'',3'''-{8-[Carboxy(Hydroxy)Methyl]-3,13,17-Tris(Carboxymethyl)-2,7,12,18-Porphyrintetrayl}Tetrapropanoic Acid
[CAS# 163894-01-7]

Identification

• Name: 3,3',3'',3'''-{8-[Carboxy(Hydroxy)Methyl]-3,13,17-Tris(Carboxymethyl)-2,7,12,18-Porphyrintetrayl}Tetrapropanoic Acid
• Molecular Formula: C₄₀H₃₈N₄O₁₇
• Molecular Weight: 846.75
• CAS Registry Number: 163894-01-7
• SMILES: OC(=O)C(O)C=2c1cc5nc(cc4nc(cc3nc(cc(n1)C=2CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)C(\CCC(O)=O)=C4\CC(O)=O)c(CC(O)=O)c5CCC(O)=O
• InChI: 1S/C40H38N4O17/c45-31(46)5-1-16-20(9-35(53)54)27-13-26-19(4-8-34(51)52)38(39(59)40(60)61)30(44-26)15-25-18(3-7-33(49)50)22(11-37(57)58)29(43-25)14-28-21(10-36(55)56)17(2-6-32(47)48)24(42-28)12-23(16)41-27/h12-15,39,41,43,59H,1-11H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,60,61)/b23-12-,24-12-,25-15-,26-13-,27-13-,28-14-,29-14-,30-15-
• InChIKey: MUEIQZDKBYKHFT-FMHKYKDHSA-N

Properties

• Density: 1.624g/cm³ (Cal.)
• Boiling point: 1571.77°C at 760 mmHg (Cal.)
• Flash point: 904.374°C (Cal.)
• Refractive index: 1.686 (Cal.)