≥99% 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 | CC(C)(C)OC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O |
|---|---|
| IUPAC Name | (2S)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChIKey | GITVZOAWZWYUTL-INIZCTEOSA-N |
| INCHI | 1S/C20H21I2NO6/c1-20(2,3)29-19(27)23-16(18(25)26)10-11-8-14(21)17(15(22)9-11)28-13-6-4-12(24)5-7-13/h4-9,16,24H,10H2,1-3H3,(H,23,27)(H,25,26)/t16-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O |
| Molecular Weight | 625.2 |
| Reaxy-Rn | 24483012 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24483012&ln= |
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 | Phenylalanine and derivatives |
| Alternative Parents | Diphenylethers Phenylpropanoic acids Diarylethers Amphetamines and derivatives Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Iodobenzenes Aryl iodides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Diphenylether - Diaryl ether - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Halobenzene - Phenol - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Ether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic 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 | 625.200 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 624.946 Da |
| Monoisotopic Mass | 624.946 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| 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 |
