3,8,13-Tris(Carboxymethyl)-17-Methyl-21H,23H-Porphine-2,7,12,18-Tetrapropanoic Acid
[CAS# 25744-38-1]

Identification

• Name: 3,8,13-Tris(Carboxymethyl)-17-Methyl-21H,23H-Porphine-2,7,12,18-Tetrapropanoic Acid
• Synonyms: Heptacarboxylic Porphyrin
• Molecular Formula: C₃₉H₃₈N₄O₁₄
• Molecular Weight: 786.75
• CAS Registry Number: 25744-38-1
• SMILES: C(C2=C(C3=CC5=NC(=CC4=NC(=CC1=C(C(=C([NH]1)C=C2[NH]3)CC(O)=O)CCC(O)=O)C(=C4C)CCC(O)=O)C(=C5CCC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O
• InChI: 1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,42-43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)
• InChIKey: COSSFDPRQXSPBP-UHFFFAOYSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 1469.304°C at 760 mmHg (Cal.)
• Flash point: 842.405°C (Cal.)