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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 |
|---|---|
| IUPAC Name | (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |
| INCHI | 1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1 |
| Isomeric SMILES | CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3 |
| Molecular Weight | 427.45 |
| Reaxy-Rn | 633490 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=633490&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 |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems - Cephalosporins |
| Direct Parent | Cephalosporin 3'-carbamates |
| Alternative Parents | Cephamycins N-acyl-alpha amino acids and derivatives 1,3-thiazines Thiophenes Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Organic carbonic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin 3'-carbamate - Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Heteroaromatic compound - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group. |
| External Descriptors | cephalosporin - semisynthetic derivative - cephamycin |
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| Sensitivity | Heat sensitive |
|---|---|
| Flash Point(°F) | >230°F |
| Flash Point(°C) | >110°C |
| Boil Point(°C) | 843.4ºC |
| Melt Point(°C) | 149 - 150ºC |
| Molecular Weight | 427.500 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 427.051 Da |
| Monoisotopic Mass | 427.051 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 744.000 |
| 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 |
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