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· · COA & SDS available for every product · Same-day shipping on in-stock items clorobiocin - Moligand™ , CAS No.39868-96-7
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
DTXSID401028112 | RP 18631 | 1kzn | 18631 RP | N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide | [(3R,4S,5R,6S)-6-[
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DTXSID401028112 | RP 18631 | 1kzn | 18631 RP | N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide | [(3R, 4S, 5R, 6S)-6-[
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O IUPAC Name [(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate InChIKey FJAQNRBDVKIIKK-LFLQOBSNSA-N INCHI 1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1 Isomeric SMILES CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O Alternate CAS 39868-96-7 PubChem CID 54706138 MeSH Entry Terms chlorobiocin;clorobiocin;RP 18,631
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Coumarin glycosides Intermediate Tree Nodes Not available Direct Parent Coumarin glycosides Alternative Parents Phenolic glycosides 4-hydroxycoumarins Hexoses O-glycosyl compounds 1-benzopyrans Benzamides Pyrrole carboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Substituted pyrroles Aryl chlorides Oxanes Heteroaromatic compounds Vinylogous acids Lactones Carboxylic acid esters Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin o-glycoside - Coumarin-7-o-glycoside - Phenolic glycoside - 4-hydroxycoumarin - Hydroxycoumarin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Aryl chloride - Monosaccharide - Oxane - Monocyclic benzene moiety - Aryl halide - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Dialkyl ether - Ether - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 697.100 g/mol XLogP3 5.300 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 10 Exact Mass 696.209 Da Monoisotopic Mass 696.209 Da Topological Polar Surface Area 186.000 Ų Heavy Atom Count 49 Formal Charge 0 Complexity 1300.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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