(2S-(2alpha,3beta,18(R*)))-18-(((5-Amino-5-Carboxypentyl)Amino)Carbonyl)-20-Carboxy-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoic Acid alpha-Methyl Ester
[CAS# 140395-23-9]

Identification

• Name: (2S-(2alpha,3beta,18(R*)))-18-(((5-Amino-5-Carboxypentyl)Amino)Carbonyl)-20-Carboxy-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoic Acid alpha-Methyl Ester
• Synonyms: Lysyl Chlorin P6
• Molecular Formula: C₄₀H₄₈N₆O₇
• Molecular Weight: 724.86
• CAS Registry Number: 140395-23-9
• 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)NCCCC[C@@H](N)C(O)=O)C(=C5C)CC)C=C)C)C)CCC(OC)=O
• InChI: 1S/C40H48N6O7/c1-8-23-19(3)27-16-29-21(5)25(13-14-33(47)53-7)36(45-29)35(40(51)52)37-34(38(48)42-15-11-10-12-26(41)39(49)50)22(6)30(46-37)18-32-24(9-2)20(4)28(44-32)17-31(23)43-27/h8,16-18,21,25-26,43-44H,1,9-15,41H2,2-7H3,(H,42,48)(H,49,50)(H,51,52)/t21-,25-,26+/m0/s1
• InChIKey: UJIDYXLTPHRZMV-OUIFVKKZSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 1113.152°C at 760 mmHg (Cal.)
• Flash point: 627.012°C (Cal.)