Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 1.9 |
|---|
| Pubchem Sid | 504772943 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772943 |
| Sorrisos canónicos | CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 |
| IUPAC Name | 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChIKey | RWWYLEGWBNMMLJ-YSOARWBDSA-N |
| INCHI | 1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1 |
| SMILES isoméricas | CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 |
| PubChem CID | 121304016 |
| Peso molecular | 602.58 |
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 |
| Classe | 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 | C-glycosyl compounds Alanine and derivatives Pentoses Pyrrolo[2,1-f][1,2,4]triazines Phosphoric diester monoamides Phenoxy compounds Substituted pyrroles Organic phosphoramides Imidolactams 1,2,4-triazines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Alanine or derivatives - Glycosyl compound - C-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,1-f][1,2,4]triazine - Phenoxy compound - Phosphoric diester monoamide - 1,2,4-triazine - Imidolactam - Organic phosphoric acid amide - Benzenoid - Triazine - Substituted pyrrole - Phosphoric acid ester - Organic phosphoric acid derivative - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Tetrahydrofuran - Pyrrole - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Descrição | 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 04, 2026 | R287694 | |
| Certificate of Analysis | Aug 04, 2026 | R287694 | |
| Certificate of Analysis | Aug 04, 2026 | R287694 | |
| Certificate of Analysis | May 09, 2025 | R287694 | |
| Certificate of Analysis | May 09, 2025 | R287694 | |
| Certificate of Analysis | May 09, 2025 | R287694 | |
| Certificate of Analysis | May 09, 2025 | R287694 | |
| Certificate of Analysis | May 09, 2025 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Oct 25, 2023 | R287694 | |
| Certificate of Analysis | Jun 16, 2022 | R287694 |
| Solubilidade | Solvent:DMSO, Max Conc. mg/mL: 60.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 12.05, Max Conc. mM: 20 |
|---|---|
| Peso molecular | 602.600 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 14 |
| Exact Mass | 602.225 Da |
| Monoisotopic Mass | 602.225 Da |
| Topological Polar Surface Area | 204.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1010.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →