≥99% 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.
Sulopenem etzadroxil (PF-03709270) is an orally available ester proagent form of sulopenem, with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria.
Form:Solid
| Canonical Smiles | CCC(CC)C(=O)OCOC(=O)C1=C(SC2N1C(=O)C2C(C)O)SC3CCS(=O)C3 |
|---|---|
| IUPAC Name | 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate |
| InChIKey | NBPVNGWRLGHULH-CSOWVJSESA-N |
| INCHI | 1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1 |
| Isomeric SMILES | CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@@H](C)O)S[C@H]3CC[S@@](=O)C3 |
| Alternate CAS | 1000296-70-7 |
| Molecular Weight | 477.62 |
| Reaxy-Rn | 29790015 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790015&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Thiazolecarboxylic acids and derivatives Penems Acylals Fatty acid esters Vinylogous thioesters Dicarboxylic acids and derivatives Thiolanes Thiazolines Tertiary carboxylic acid amides Enoate esters Azetidines Sulfoxides Secondary alcohols Sulfenyl compounds Sulfinyl compounds Thiohemiaminal derivatives Acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Fatty acid ester - Acylal - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous thioester - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiolane - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Acetal - Hemithioaminal - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (209.37 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 477.600 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 477.095 Da |
| Monoisotopic Mass | 477.095 Da |
| Topological Polar Surface Area | 180.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 767.000 |
| 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 |
