≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772674 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772674 |
| Canonical Smiles | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCNC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)C(=O)O |
| IUPAC Name | (2S)-6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid |
| InChIKey | ZAGGWQSWIFPNCB-DHUJRADRSA-N |
| INCHI | 1S/C42H34N2O10/c45-24-13-16-33-36(20-24)53-37-21-25(46)14-17-34(37)42(33)32-15-12-23(19-30(32)40(50)54-42)38(47)43-18-6-5-11-35(39(48)49)44-41(51)52-22-31-28-9-3-1-7-26(28)27-8-2-4-10-29(27)31/h1-4,7-10,12-17,19-21,31,35,45-46H,5-6,11,18,22H2,(H,43,47)(H,44,51)(H,48,49)/t35-/m0/s1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCNC(=O)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)C(=O)O |
| PubChem CID | 91811004 |
| Molecular Weight | 726.73 |
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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Fluorenes Diarylethers Benzofuranones Phthalides Alpha amino acids and derivatives Isobenzofurans Medium-chain fatty acids Hydroxy fatty acids Amino fatty acids Heterocyclic fatty acids 1-hydroxy-2-unsubstituted benzenoids Carbamate esters Lactones Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Fluorene - Diaryl ether - Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Medium-chain fatty acid - Amino fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Fatty acid - Benzenoid - Fatty acyl - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2521056 | Certificate of Analysis | Jun 25, 2022 | F334131 |
| I2207682 | Certificate of Analysis | Jun 25, 2022 | F334131 |
| I2207683 | Certificate of Analysis | Jun 25, 2022 | F334131 |
| I2207729 | Certificate of Analysis | Jun 25, 2022 | F334131 |
| J2529134 | Certificate of Analysis | Jun 25, 2022 | F334131 |
| Sensitivity | sensitive to light |
|---|---|
| Molecular Weight | 726.700 g/mol |
| XLogP3 | 6.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 726.221 Da |
| Monoisotopic Mass | 726.221 Da |
| Topological Polar Surface Area | 181.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1340.000 |
| 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 |
