(17S,18S)-18-(2-Carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-21H,23H-Porphine-2,20-dicarboxylic acid
[CAS# 22006-68-4]

Identification

• Name: (17S,18S)-18-(2-Carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-21H,23H-Porphine-2,20-dicarboxylic acid
• Synonyms: Chlorin P6
• Molecular Formula: C₃₃H₃₄N₄O₆
• Molecular Weight: 582.65
• CAS Registry Number: 22006-68-4
• SMILES: [C@@H]2([C@@H](C3=CC1=C(C(=C([NH]1)C=C5[NH]C(=CC4=NC(=C(C2=N3)C(O)=O)C(=C4C)C(O)=O)C(=C5C)CC)C=C)C)C)CCC(O)=O
• InChI: 1S/C33H34N4O6/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29(33(42)43)31-28(32(40)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34-35H,1,8-10H2,2-6H3,(H,38,39)(H,40,41)(H,42,43)/t16-,20-/m0/s1
• InChIKey: URDZXTPAPNZDNO-JXFKEZNVSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 999.182°C at 760 mmHg (Cal.)
• Flash point: 558.085°C (Cal.)