≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C)CCC(=O)O)C)C)C=C)C |
|---|---|
| IUPAC Name | (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid |
| InChIKey | AKQWLZLQQVVKCI-JTSKRJEESA-N |
| INCHI | 1S/C33H36N4O4/c1-8-20-15(3)23-12-25-17(5)22(10-11-29(38)39)31(36-25)19(7)32-30(33(40)41)18(6)26(37-32)14-28-21(9-2)16(4)24(35-28)13-27(20)34-23/h8,12-14,17,22,34-35H,1,9-11H2,2-7H3,(H,38,39)(H,40,41)/t17-,22-/m0/s1 |
| Isomeric SMILES | CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C)CCC(=O)O)C)C)C=C)C |
| PubChem CID | 25060996 |
| Molecular Weight | 552.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrapyrroles and derivatives |
| Subclass | Chlorins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorins |
| Alternative Parents | Pyrrole carboxylic acids Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chlorin - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. |
| External Descriptors | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 552.700 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 552.274 Da |
| Monoisotopic Mass | 552.274 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 977.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
