≥98.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)N)C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F |
|---|---|
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) (2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate |
| InChIKey | FESVUEALWMQZEP-INIZCTEOSA-N |
| INCHI | 1S/C25H17F5N2O5/c26-18-19(27)21(29)23(22(30)20(18)28)37-24(34)16(9-17(31)33)32-25(35)36-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,31,33)(H,32,35)/t16-/m0/s1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)N)C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F |
| WGK Germany | 3 |
| PubChem CID | 10875019 |
| Molecular Weight | 520.4 |
| Beilstein | 4731978 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Asparagine and derivatives |
| Alternative Parents | Alpha amino acid esters Fluorenes Phenol esters Phenoxy compounds Fatty acid esters Fluorobenzenes Aryl fluorides Fatty amides Carbamate esters Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Asparagine or derivatives - Alpha-amino acid ester - Fluorene - Phenol ester - Phenoxy compound - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 520.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 520.106 Da |
| Monoisotopic Mass | 520.106 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 814.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
