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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sorrisi canonici | CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C |
|---|---|
| IUPAC Name | [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate |
| InChIKey | HJYYPODYNSCCOU-ODRIEIDWSA-N |
| INCHI | 1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 |
| Isomeri SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C |
| CAS alternativo | 6998-60-3,15105-92-7 (mono-hydrochloride salt) |
| PubChem CID | 6324616 |
| Termini MeSH | Rifamycin;Rifamycins;Rifomycin;Rifomycins |
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 | Phenylpropanoids and polyketides |
| Classe | Macrolactams |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Macrolactams |
| Alternative Parents | Naphthofurans Naphthols and derivatives Benzofurans Coumarans Aryl alkyl ketones Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Ketals Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Polyols Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthofuran - Macrolactam - 1-naphthol - Naphthalene - Benzofuran - Coumaran - Hydroquinone - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Benzenoid - Ketone - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Lactam - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. |
| External Descriptors | Ansamycins and related polyketides |
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| Peso molecolare | 697.800 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Exact Mass | 697.31 Da |
| Monoisotopic Mass | 697.31 Da |
| Topological Polar Surface Area | 201.000 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1330.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 3 |
| Covalently-Bonded Unit Count | 1 |
| 1. Qingquan Zeng, Mengru Bai, Cui Li, Shuanghui Lu, Zhiyuan Ma, Yunchun Zhao, Hui Zhou, Huidi Jiang, Dongli Sun, Caihong Zheng. (2019) Multiple Drug Transporters Contribute to the Placental Transfer of Emtricitabine. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, [PMID:31160284] [10.1128/AAC.00199-19] |
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