3,8,13,18-Tetrakis(Carboxymethyl)-5-Hydroxy-21H,23H-Porphine-2,7,12,17-Tetrapropanoic Acid
[CAS# 125219-57-0]

Identification

• Name: 3,8,13,18-Tetrakis(Carboxymethyl)-5-Hydroxy-21H,23H-Porphine-2,7,12,17-Tetrapropanoic Acid
• Synonyms: Hydroxyuroporphyrin I
• Molecular Formula: C₄₀H₃₈N₄O₁₇
• Molecular Weight: 846.76
• CAS Registry Number: 125219-57-0
• SMILES: C(C\4=C(\C5=C\C1=C(C(=C([NH]1)/C=C/2N=C(C(=C2CC(O)=O)CCC(O)=O)C(=O)C3=C(C(=C([NH]3)/C=C4N5)CCC(O)=O)CC(O)=O)CC(O)=O)CCC(O)=O)CC(O)=O)CC(O)=O
• InChI: 1S/C40H38N4O17/c45-30(46)5-1-16-20(9-34(53)54)27-14-25-17(2-6-31(47)48)21(10-35(55)56)28(42-25)15-29-22(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/h13-15,41-43H,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-,27-14-,29-15-
• InChIKey: QIZQSUINJLEQAD-ZELODDTJSA-N

Properties

• Density: 1.68g/cm³ (Cal.)
• Boiling point: 1392.124°C at 760 mmHg (Cal.)
• Flash point: 795.728°C (Cal.)