Bacteriochlorin A
[CAS# 103428-20-2]

Identification

• Name: Bacteriochlorin A
• Synonyms: Bacteriochlorin A
• Molecular Formula: C₃₄H₃₈N₄O₇
• Molecular Weight: 614.70
• CAS Registry Number: 103428-20-2
• SMILES: [C@H]5(C2=NC(=CC1=C(C(=C([NH]1)C=C4N=C(C=C3[NH]C(=C2CC(=O)O)C(=C3C)C(=O)O)[C@@H]([C@H]4C)CC)C(=O)C)C)[C@H]5C)CCC(=O)O
• InChI: 1S/C34H38N4O7/c1-7-19-14(2)22-13-27-30(18(6)39)16(4)24(36-27)11-23-15(3)20(8-9-28(40)41)32(37-23)21(10-29(42)43)33-31(34(44)45)17(5)25(38-33)12-26(19)35-22/h11-15,19-20,36,38H,7-10H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/t14-,15+,19-,20+/m1/s1
• InChIKey: MILOJLOJFSWAGE-ITKAJJHTSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 1024.147°C at 760 mmHg (Cal.)
• Flash point: 573.184°C (Cal.)