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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O |
|---|---|
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(1R,2S,3S,4R,6S)-6-amino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[[(2S)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol |
| InChIKey | OCFOTEIMZBKQFS-DGMGPCKZSA-N |
| INCHI | 1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1 |
| Isomeric SMILES | C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N |
| PubChem CID | 11954318 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Aminosaccharides - Aminoglycosides - Aminocyclitol glycosides - 2-deoxystreptamine aminoglycosides |
| Direct Parent | 4,6-disubstituted 2-deoxystreptamines |
| Alternative Parents | O-glycosyl compounds Aminocyclitols and derivatives Cyclohexanols Cyclohexylamines Oxanes Monosaccharides 1,3-aminoalcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Dialkylamines Organopnictogen compounds Monoalkylamines Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 4,6-disubstituted 2-deoxystreptamine - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Monosaccharide - Oxane - 1,3-aminoalcohol - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Secondary aliphatic amine - Primary alcohol - Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Amine - Alcohol - Primary amine - Organonitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4,6-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C6-positions. |
| External Descriptors | Not available |
| Molecular Weight | 571.600 g/mol |
|---|---|
| XLogP3 | -7.600 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 11 |
| Exact Mass | 571.306 Da |
| Monoisotopic Mass | 571.306 Da |
| Topological Polar Surface Area | 315.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 748.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 16 |
| 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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