≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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)C(CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46 |
|---|---|
| IUPAC Name | (3S)-4-(9H-fluoren-9-ylmethoxy)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid |
| InChIKey | AAVDDDPGTRDTJT-PMERELPUSA-N |
| INCHI | 1S/C33H27NO6/c35-31(36)17-30(32(37)39-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28)34-33(38)40-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29/h1-16,28-30H,17-19H2,(H,34,38)(H,35,36)/t30-/m0/s1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)[C@H](CC(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46 |
| PubChem CID | 53229909 |
| Molecular Weight | 533.6 |
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 | Aspartic acid and derivatives |
| Alternative Parents | Fluorenes Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Aspartic acid or derivatives - Alpha-amino acid ester - Fluorene - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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 | 533.600 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 533.184 Da |
| Monoisotopic Mass | 533.184 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 879.000 |
| 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 |
