(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid
[CAS# 65207-12-7]

Identification

• Name: (7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid
• Synonyms: Chebi:18023; 21H,23H-Porphine-2,7,12,18-Tetrapropanoic Acid, 3,8,13,17-Tetrakis(Carboxymethyl)-7,8,12,13-Tetrahydro-8,13-Dimethyl-, (7S-(7Alpha,8Beta,12Alpha,13Beta))-; C05778
• Molecular Formula: C₄₂H₄₆N₄O₁₆
• Molecular Weight: 862.84
• CAS Registry Number: 65207-12-7
• SMILES: [C@H]1(CCC(O)=O)[C@](CC(O)=O)(C3=NC1=CC2=C(CC(=O)O)C(=C([NH]2)C=C5[NH]C(=CC4=NC(=C3)[C@@H](CCC(O)=O)[C@@]4(CC(=O)O)C)C(=C5CCC(O)=O)CC(=O)O)CCC(O)=O)C
• InChI: 1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,43-44H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t23-,24-,41+,42+/m1/s1
• InChIKey: AVBHZKNQGDKVEA-ZTKUHGNGSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 1279.994°C at 760 mmHg (Cal.)
• Flash point: 727.914°C (Cal.)