Methyl Pheoporphyrin A5
[CAS# 29169-79-7]

Identification

• Name: Methyl Pheoporphyrin A5
• Synonyms: 3-Phorbinepropanoic Acid, 3,4-Didehydro-9,14-Diethyl-21-(Methoxycarbonyl)-4,8,13,18-Tetramethyl-20-Oxo-, Methyl Ester; Me-Php-A5
• Molecular Formula: C₃₆H₃₈N₄O₅
• Molecular Weight: 606.72
• CAS Registry Number: 29169-79-7
• SMILES: C(C4=C(C5=CC1=C(C(=C([NH]1)C=C6[NH]C(=CC3=NC2=C(C(C(=O)C2=C3C)C(OC)=O)C4=N5)C(=C6C)CC)CC)C)C)CC(OC)=O
• InChI: 1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h13-15,32,37-38H,9-12H2,1-8H3
• InChIKey: WDSHLKKANUQWHJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 956.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 532.1±34.3°C (Cal.)