≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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 | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)OC(=O)C(CCCCN)N.Cl.Cl |
|---|---|
| IUPAC Name | ethyl 5-[2-[(2S)-2,6-diaminohexanoyl]oxy-3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylate;dihydrochloride |
| InChIKey | VZZTWOVKCVPTSM-FJSYBICCSA-N |
| INCHI | 1S/C33H36N2O12.2ClH/c1-3-41-32(39)27-15-21(36)29-23(10-7-12-25(29)46-27)43-17-19(45-31(38)20(35)9-5-6-14-34)18-44-24-11-8-13-26-30(24)22(37)16-28(47-26)33(40)42-4-2;;/h7-8,10-13,15-16,19-20H,3-6,9,14,17-18,34-35H2,1-2H3;2*1H/t20-;;/m0../s1 |
| Isomeric SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)OC(=O)[C@H](CCCCN)N.Cl.Cl |
| Alternate CAS | 110816-78-9 |
| PubChem CID | 196638 |
| MeSH Entry Terms | 1,3-bis-(2-ethoxycarbonylchromon-5-yloxy)-2-(lysyloxy)propane;KY 556;KY-556;N 556;N-556 |
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 | Alpha amino acid esters |
| Alternative Parents | Chromones Tricarboxylic acids and derivatives Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Benzenoids Vinylogous esters Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Hydrochlorides Monoalkylamines Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Chromone - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Alkyl aryl ether - Fatty acid ester - Pyranone - Pyran - Benzenoid - Fatty acyl - Vinylogous ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic 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 | 725.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 19 |
| Exact Mass | 724.18 Da |
| Monoisotopic Mass | 724.18 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1130.000 |
| 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 | 3 |
