≥95% 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=C(C(=C1)COC(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)Br |
|---|---|
| IUPAC Name | (2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChIKey | KDNBLNJKURMWNG-LJAQVGFWSA-N |
| INCHI | 1S/C32H26BrNO7/c33-28-12-6-1-7-21(28)18-40-32(38)41-22-15-13-20(14-16-22)17-29(30(35)36)34-31(37)39-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h1-16,27,29H,17-19H2,(H,34,37)(H,35,36)/t29-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C(=C1)COC(=O)OC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)Br |
| PubChem CID | 12132761 |
| Molecular Weight | 616.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Phenylalanine and derivatives |
| Alternative Parents | Fluorenes Phenylpropanoic acids Amphetamines and derivatives Benzyloxycarbonyls Phenoxy compounds Bromobenzenes Aryl bromides Carbonic acid diesters Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenylalanine or derivatives - Fluorene - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzyloxycarbonyl - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbonic acid diester - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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 | 616.500 g/mol |
|---|---|
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 615.089 Da |
| Monoisotopic Mass | 615.089 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 871.000 |
| 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 |
