3,3',3'',3'''-[3,8,13-Tris(Carboxymethyl)-17-Methyl-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid
[CAS# 163894-03-9]

Identification

• Name: 3,3',3'',3'''-[3,8,13-Tris(Carboxymethyl)-17-Methyl-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid
• Synonyms: heptacarboxylic porphyrin
• Molecular Formula: C₃₉H₃₈N₄O₁₄
• Molecular Weight: 786.74
• CAS Registry Number: 163894-03-9
• SMILES: OC(=O)CC/C5=C(\C)c1nc5cc4nc(cc3nc(cc2nc(c1)c(CC(O)=O)c2CCC(O)=O)C(\CC(O)=O)=C3\CCC(O)=O)c(CC(O)=O)c4CCC(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/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-
• InChIKey: NGHBDJAOMFYFRP-PKXAPQLQSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 1462.552°C at 760 mmHg (Cal.)
• Flash point: 838.321°C (Cal.)
• Refractive index: 1.665 (Cal.)