Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C |
|---|---|
| IUPAC Name | (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid |
| InChIKey | ICFDDEJRXZSWTA-KJFVXYAMSA-N |
| INCHI | 1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1 |
| Isómeros SMILES | C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)O)OC)O |
| PubChem CID | 71452 |
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 | Not available |
| Direct Parent | Carbapenems |
| Alternative Parents | Alpha amino acids and derivatives Isoindoles Pyrroline carboxylic acids Azepines Tertiary carboxylic acid amides Secondary alcohols Azetidines Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Carbapenem - Alpha-amino acid or derivatives - Isoindole - Isoindole or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Tertiary carboxylic acid amide - Pyrroline - Azetidine - Carboxamide group - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid. |
| External Descriptors | Not available |
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| Peso molecular | 281.300 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 281.126 Da |
| Monoisotopic Mass | 281.126 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| 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 |
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