≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C(C=C1)F)OCCOC2=C(C=CC(=C2)F)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C |
|---|---|
| IUPAC Name | acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-fluorophenoxy]ethoxy]-4-fluoroanilino]acetate |
| InChIKey | ZXXWTKAFGAXGHZ-UHFFFAOYSA-N |
| INCHI | 1S/C34H38F2N2O18/c1-21(39)49-17-53-31(43)13-37(14-32(44)54-18-50-22(2)40)27-7-5-25(35)11-29(27)47-9-10-48-30-12-26(36)6-8-28(30)38(15-33(45)55-19-51-23(3)41)16-34(46)56-20-52-24(4)42/h5-8,11-12H,9-10,13-20H2,1-4H3 |
| Molecular Weight | 800.7 |
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 | Alpha amino acid esters |
| Alternative Parents | Aminophenyl ethers Phenoxy compounds Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Alkyl aryl ethers Acylals Aryl fluorides Acetals Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Acylal - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Tertiary amine - Ether - Acetal - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 800.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 31 |
| Exact Mass | 800.209 Da |
| Monoisotopic Mass | 800.209 Da |
| Topological Polar Surface Area | 235.000 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
