Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504750987 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750987 |
| Sonrisas canónicas | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O |
| IUPAC Name | (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | XIURVHNZVLADCM-IUODEOHRSA-N |
| INCHI | 1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1 |
| Isómeros SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O |
| Peso molecular | 396.4 |
| Reaxy-Rn | 632592 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=632592&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 | Organoheterocyclic compounds |
| Clase | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems - Cephalosporins |
| Direct Parent | Cephalosporin 3'-esters |
| Alternative Parents | N-acyl-alpha amino acids and derivatives 1,3-thiazines Dicarboxylic acids and derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position. |
| External Descriptors | cephalosporin - thiophenes - carboxylic acid - azabicycloalkene |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jan 22, 2025 | C181715 | |
| Certificate of Analysis | Jan 22, 2025 | C181715 | |
| Certificate of Analysis | Jan 22, 2025 | C181715 | |
| Certificate of Analysis | Jan 22, 2025 | C181715 | |
| Certificate of Analysis | Jan 08, 2024 | C181715 | |
| Certificate of Analysis | Mar 10, 2022 | C181715 | |
| Certificate of Analysis | Mar 10, 2022 | C181715 |
| Punto de fusión (°C) | 154 °C(dec.) |
|---|---|
| Peso molecular | 396.400 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 396.045 Da |
| Monoisotopic Mass | 396.045 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 680.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| 1. Yexuan Mao, Yichao Fan, Ran Yang, Youyi Wang, Qingyue Li, Meng Dang, Xianqing Huang, Lianjun Song, Pingan Zhang, Miao Song, Liang Liu, Linli Wang, Shun Yu, Qiuyan Zhao, Xiya Zhang. (2023) A highly sensitive electrochemical sensor derived from peptide amphiphilic inspired self-assembled, ordered gold nanoparticles for determination of 22 β-lactams. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2023.142669] |
| 2. Jiansheng Lin, Chunyan Lin, Jingyang Zheng. (2025) LysR-type transcriptional regulator CARR represses the expression of blaCAR-2 and reduces P. diazotrophicus resistance to cefalothin, cefuroxime and cefotaxime. Frontiers in Cellular and Infection Microbiology, [PMID:40959139] [10.3389/fcimb.2025.1616646] |
| 3. Chao Wang, Peijuan Chu, Tengfei He, Cheng Yi, Yue Yao, Lijia Liu, Chunhong Zhang. (2025) Natural product flavonoid of naringenin based thin-film composite polyester membranes preparation for antibiotic separation. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.134123] |
| 4. Jiaxuan Liu, Wensi Ma, Xinyue Huang, Lei Jiang, Lin Yuan, Xiuling Ji, Yujiao Tu. (2025) Rapeseed oil residue-based fluorescent probes for bifunctional detection of Hg2+ and aureomycin hydrochloride. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.114165] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →