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.
| pKa | pKa: 9.53 (Predicted), pKa: 3.10 (Predicted) |
|---|
| Canonical Smiles | C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)(COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5 |
|---|---|
| IUPAC Name | [(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-carboxylate |
| InChIKey | FUWFSXZKBMCSKF-ZASNTINBSA-N |
| INCHI | 1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1 |
| Isomeric SMILES | C1=CC(=CN=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@](O2)(COC(=O)C3=CN=CC=C3)O)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5 |
| Molecular Weight | 600.55 |
| Reaxy-Rn | 25496611 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25496611&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | C-glycosyl compounds Pentoses Pyridinecarboxylic acids Tetrahydrofurans Heteroaromatic compounds Hemiacetals Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - C-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Monosaccharide - Pyridine - Tetrahydrofuran - Heteroaromatic compound - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
| Refractive Index | n20D1.66 (Predicted) |
|---|---|
| Boil Point(°C) | 756.00° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 133-136° C |
| Molecular Weight | 600.500 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 14 |
| Exact Mass | 600.149 Da |
| Monoisotopic Mass | 600.149 Da |
| Topological Polar Surface Area | 186.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
