≥98% 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.
Polyketomycin is a tetracyclic quinone glycoside with antibacterial, antitumor, and antimalarial ativity produced by Streptomyces diastatochromogenes. Known as an anthracycline antibiotic displaying cytotoxic and growth inhibitory ability against Gram-positive multi drug strains including methicillin-resistant Staphylococcus aureus (MRSA). Shown in experiments to have potent antitumor activity against multiple cancer cell lines.
| Canonical Smiles | CC1C(CCC(O1)OC2C(=O)C(=C(C3(C2(CC4=C(C5=C(C(=O)C=C(C5=O)OC)C(=C4C3=O)O)C)O)O)O)C(=O)C)OC6CC(C(C(O6)C)OC(=O)C7=C(C=CC(=C7O)C)C)(C)O |
|---|---|
| IUPAC Name | [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-acetyl-4,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-2,5,7,10-tetraoxo-1,12-dihydrotetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-hydroxy-3,6-dimethylbenzoate |
| InChIKey | IFCBPTPGDINHLK-VSYKUZCLSA-N |
| INCHI | 1S/C44H48O18/c1-16-9-10-17(2)33(47)28(16)41(53)62-39-21(6)59-27(15-42(39,7)54)60-24-11-12-26(58-20(24)5)61-40-36(50)30(19(4)45)37(51)44(56)38(52)31-22(14-43(40,44)55)18(3)29-32(35(31)49)23(46)13-25(57-8)34(29)48/h9-10,13,20-21,24,26-27,39-40,47,49,51,54-56H,11-12,14-15H2,1-8H3/t20-,21+,24+,26+,27+,39-,40-,42-,43-,44-/m1/s1 |
| Isomeric SMILES | C[C@@H]1[C@H](CC[C@@H](O1)O[C@@H]2C(=O)C(=C([C@@]3([C@]2(CC4=C(C5=C(C(=O)C=C(C5=O)OC)C(=C4C3=O)O)C)O)O)O)C(=O)C)O[C@H]6C[C@@]([C@@H]([C@@H](O6)C)OC(=O)C7=C(C=CC(=C7O)C)C)(C)O |
| PubChem CID | 5747698 |
| Molecular Weight | 864.84 |
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 | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinone glycosides |
| Alternative Parents | o-Hydroxybenzoic acid esters Disaccharides O-glycosyl compounds Tetralins Salicylic acid and derivatives Naphthalenes p-Xylenols p-Xylenes Aryl alkyl ketones Benzoyl derivatives Quinones Ortho cresols Meta cresols 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Oxanes Vinylogous esters Vinylogous acids Tertiary alcohols Carboxylic acid esters Enols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthraquinone glycoside - O-hydroxybenzoic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Naphthalene - Salicylic acid or derivatives - Tetralin - Benzoate ester - P-xylenol - Xylenol - Benzoic acid or derivatives - M-cresol - O-cresol - Quinone - P-xylene - Xylene - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenol - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Tertiary alcohol - Vinylogous acid - Vinylogous ester - Carboxylic acid ester - Cyclic ketone - Ketone - Polyol - Enol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthraquinone glycosides. These are organic compounds containing an anthraquinone moiety glycosidically bound to a carbohydrate moiety. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO, methanol or acetone. |
|---|---|
| Molecular Weight | 864.800 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 9 |
| Exact Mass | 864.284 Da |
| Monoisotopic Mass | 864.284 Da |
| Topological Polar Surface Area | 279.000 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1940.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
