Porphyrin A
[CAS# 25162-02-1]

Identification

• Name: Porphyrin A
• Synonyms: 7-Ethenyl-17-Formyl-12-[(4E,8E)-1-Hydroxy-5,9,13-Trimethyltetradeca-4,8,12-Trien-1-Yl]-3,8,13-Trimethylporphyrin-2,18-Dipropanoic Acid; Chebi:36177; Cytoporphyrin
• Molecular Formula: C₄₉H₅₈N₄O₆
• Molecular Weight: 799.02
• CAS Registry Number: 25162-02-1
• SMILES: C(C(O)C3=C(C4=CC1=C(C(=C([NH]1)C=C2N=C(C(=C2CCC(O)=O)C)C=C5[NH]C(=CC3=N4)C(=C5C=C)C)CCC(O)=O)C=O)C)C\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,50,53,55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15+,30-17+,38-23?,39-25?,40-24?,41-23?,42-26?,43-26?,44-24?,45-25?
• InChIKey: RPXVIYBFVKFWJU-BUEOYSEKSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 1194.972°C at 760 mmHg (Cal.)
• Flash point: 676.495°C (Cal.)