3,3',3'',3'''-[3,8,13-Tris(carboxymethyl)-18-methyl-2,7,12,17-porphyrintetrayl]tetrapropanoic acid
[CAS# 65406-45-3]

Identification

• Name: 3,3',3'',3'''-[3,8,13-Tris(carboxymethyl)-18-methyl-2,7,12,17-porphyrintetrayl]tetrapropanoic acid
• Synonyms: 21H,22H-porphine-2,7,12,17-tetrapropanoic acid, 3,8,18-tris(carboxymethyl)-13-methyl-; 3,3',3'',3'''-[3,8,13-tris(carboxymethyl)-18-methylporphyrin-2,7,12,17-tetrayl]tetrapropanoic acid; 3-[(1Z,5Z,9Z,14Z)-7,12,17-Tris-(2-carboxy-ethyl)-3,8,13-tris-carboxymethyl-18-methyl-22,24-dihydro-porphin-2-yl]-propionic acid
• Molecular Formula: C₃₉H₃₈N₄O₁₄
• Molecular Weight: 786.74
• CAS Registry Number: 65406-45-3
• SMILES: CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CCC(=O)O
• InChI: 1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)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)/b25-13-,26-14-,27-13-,28-16-,29-15-,30-14-,31-15-,32-16-
• InChIKey: NIGVICSDLYHPTO-YBWGHNILSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 1469.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 842.4±34.3°C (Cal.)