≥97% 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.
Benzyl N-acetyl-4,6-O-benzylidenemuramic acid is a derivative of muramic acid that is found in peptidoglycan, the main structural compound of Gram positive and Gram negative bacterial cell walls.
| Pubchem Sid | 504763925 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763925 |
| Canonical Smiles | CC(C(=O)O)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C |
| IUPAC Name | (2R)-2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid |
| InChIKey | JPPMVSNCFXDOJX-BKIFYLKZSA-N |
| INCHI | 1S/C25H29NO8/c1-15(23(28)29)32-22-20(26-16(2)27)25(30-13-17-9-5-3-6-10-17)33-19-14-31-24(34-21(19)22)18-11-7-4-8-12-18/h3-12,15,19-22,24-25H,13-14H2,1-2H3,(H,26,27)(H,28,29)/t15-,19-,20-,21-,22-,24?,25+/m1/s1 |
| Isomeric SMILES | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C |
| Alternate CAS | 19229-57-3，499104-69-7 |
| PubChem CID | 5702773 |
| Molecular Weight | 471.5 |
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 | Pyranodioxins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranodioxins |
| Alternative Parents | Oxanes 1,3-dioxanes Monosaccharides Benzene and substituted derivatives Acetamides Secondary carboxylic acid amides Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranodioxin - Meta-dioxane - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. |
| External Descriptors | Not available |
| Sensitivity | heat sensitive |
|---|---|
| Boil Point(°C) | ~717.7° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 280.16° C (Predicted) |
| Molecular Weight | 471.500 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 471.189 Da |
| Monoisotopic Mass | 471.189 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 678.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H2206785