for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C |
|---|---|
| IUPAC Name | 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid |
| InChIKey | FDKRLXBXYZKWRZ-UWJYYQICSA-N |
| INCHI | 1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1 |
| Isómeros SMILES | CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C |
| PubChem CID | 161456 |
| Peso molecular | 534.66 |
| Beilstein | 73087 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Tetrapyrroles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrapyrroles and derivatives |
| Alternative Parents | Delta amino acids and derivatives Pyrrolidines Ketimines Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enols Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Tetrapyrrole skeleton - Delta amino acid or derivatives - Pyrrolidine - Amino acid - Ketimine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Enol - Enamine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. |
| External Descriptors | Not available |
| Solubilidad | Soluble in concentrated HCl, DMF, pyridine, and ammoniacal methanol. |
|---|---|
| Índice de refracción | n20D1.64 (Predicted) |
| Punto de ebullición (°C) | ~1006.4° C at 760 mmHg (Predicted) |
| Peso molecular | 534.600 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 534.263 Da |
| Monoisotopic Mass | 534.263 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1660.000 |
| 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 |
| 1. Jianying Ye, Yan Zhao, Baoyue Zhang, Shuo Li, Jinbo Li, Jiang Yu, Hongzhuo Liu, Yongjun Wang. (2026) Galloyl-Mediated Antigen Capture Coupled with Hypoxia-Responsive Reprogramming Drives Potent Photoimmunotherapy. ACS Nano, [PMID:41702861] [10.1021/acsnano.5c18030] |
