≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.
| Sonrisas canónicas | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)NS(=O)(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamate |
| InChIKey | LMECUNAMBHBGFU-MYDYNYEJSA-M |
| INCHI | 1S/C16H19NO10S.Na/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16;/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24);/q;+1/p-1/t11-,13-,14-,15-,16+;/m1./s1 |
| Isómeros SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)[O-].[Na+] |
| PubChem CID | 23676104 |
| Peso molecular | 439.37 |
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 |
| Clase | Coumarins and derivatives |
| Subclass | Coumarin glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarin glycosides |
| Alternative Parents | O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Sulfuric acid monoamides Oxanes Benzenoids Monosaccharides Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Organic sodium salts Organonitrogen compounds Organopnictogen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin-7-o-glycoside - Coumarin o-glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Monosaccharide - Sulfuric acid monoamide - Oxane - Pyran - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Lactone - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Acetal - Organic sodium salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Punto de fusión (°C) | 224-229° C (dec.) |
|---|---|
| Peso molecular | 439.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 439.055 Da |
| Monoisotopic Mass | 439.055 Da |
| Topological Polar Surface Area | 183.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 726.000 |
| 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 | 2 |
