≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 504767515 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767515 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| IUPAC Name | [(2R,3R,4S,5S,6R)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate |
| InChIKey | JJNMLNFZFGSWQR-LAWAEFJSSA-N |
| INCHI | 1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35+,41-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| Molecular Weight | 700.7 |
| Reaxy-Rn | 3193304 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3193304&ln= |
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 | Pentacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pentacarboxylic acids and derivatives |
| Alternative Parents | Hexoses Benzoic acid esters Benzoyl derivatives Oxanes Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pentacarboxylic acid or derivatives - Hexose monosaccharide - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. |
| 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 |
|---|---|---|---|
 J2112521 | Certificate of Analysis | Jul 10, 2025 | P292297 |
| J2112651 | Certificate of Analysis | Jul 10, 2025 | P292297 |
| J2112652 | Certificate of Analysis | Jul 10, 2025 | P292297 |
| J2112655 | Certificate of Analysis | Jul 10, 2025 | P292297 |
| L2412336 | Certificate of Analysis | May 21, 2021 | P292297 |
| Melt Point(°C) | 152-153 ºC |
|---|---|
| Molecular Weight | 700.700 g/mol |
| XLogP3 | 8.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 16 |
| Exact Mass | 700.194 Da |
| Monoisotopic Mass | 700.194 Da |
| Topological Polar Surface Area | 141.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1190.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
