3-(Carboxymethyl)-8,13,17-Trimethyl-21H,23H-Porphine-2,7,12,18-Tetrapropanoic Acid
[CAS# 28100-78-9]

Identification

• Name: 3-(Carboxymethyl)-8,13,17-Trimethyl-21H,23H-Porphine-2,7,12,18-Tetrapropanoic Acid
• Synonyms: Pentacarboxylic Porphyrin; Pentacarboxyporphyrin
• Molecular Formula: C₃₇H₃₈N₄O₁₀
• Molecular Weight: 698.73
• CAS Registry Number: 28100-78-9
• SMILES: C(C1=C3[NH]C(=C1CC(O)=O)C=C2N=C(C(=C2CCC(O)=O)C)C=C5N=C(C=C4[NH]C(=C3)C(=C4C)CCC(O)=O)C(=C5CCC(O)=O)C)CC(O)=O
• InChI: 1S/C37H38N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h13-16,39,41H,4-12H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)
• InChIKey: YDYIPLSPVWGSRD-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 1330.451°C at 760 mmHg (Cal.)
• Flash point: 758.429°C (Cal.)