Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 | 504763421 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763421 |
| Canonical Smiles | CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O |
| IUPAC Name | (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate |
| InChIKey | GSOSVVULSKVSLQ-JJVRHELESA-N |
| INCHI | 1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1 |
| Isomeric SMILES | C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O |
| WGK Germany | 3 |
| PubChem CID | 5282372 |
| Molecular Weight | 317.36 |
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 | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Carbapenems |
| Direct Parent | Thienamycins |
| Alternative Parents | Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Vinylogous thioesters Tertiary carboxylic acid amides Thioenol ethers Secondary alcohols Azetidines Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Monocarboxylic acids and derivatives Formamidines Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Thienamycin - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Vinylogous thioester - Pyrroline - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary alcohol - Thioenolether - Azacycle - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain. |
| External Descriptors | carbapenems |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 12, 2025 | R134429 | |
| Certificate of Analysis | May 12, 2025 | R134429 | |
| Certificate of Analysis | Dec 19, 2024 | R134429 | |
| Certificate of Analysis | Nov 02, 2024 | R134429 | |
| Certificate of Analysis | Sep 14, 2023 | R134429 | |
| Certificate of Analysis | Sep 14, 2023 | R134429 |
| Solubility | Soluble in water at 5mg/ml |
|---|---|
| Molecular Weight | 317.360 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 317.105 Da |
| Monoisotopic Mass | 317.105 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 2 |
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