3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-5-Hydroxy-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid
[CAS# 136466-48-3]

Identification

• Name: 3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-5-Hydroxy-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid
• Molecular Formula: C₄₀H₃₈N₄O₁₇
• Molecular Weight: 846.75
• CAS Registry Number: 136466-48-3
• SMILES: OC(=O)Cc1c(CCC(O)=O)c2nc1c(O)c5nc(cc4nc(cc3nc(c2)C(/CCC(O)=O)=C3/CC(O)=O)c(CC(O)=O)c4CCC(O)=O)C(\CC(O)=O)=C5\CCC(O)=O
• InChI: 1S/C40H38N4O17/c45-30(46)5-1-16-20(9-34(53)54)27-15-28-21(10-35(55)56)17(2-6-31(47)48)25(42-28)14-29-22(11-36(57)58)19(4-8-33(51)52)38(44-29)40(61)39-23(12-37(59)60)18(3-7-32(49)50)26(43-39)13-24(16)41-27/h13-15,42-43,61H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b24-13-,25-14-,26-13-,27-15-,28-15-,29-14-,40-38+,40-39+
• InChIKey: LLOMKCLONBZZRR-MCSOBSATSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 1620.38°C at 760 mmHg (Cal.)
• Flash point: 933.772°C (Cal.)
• Refractive index: 1.683 (Cal.)