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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N |
|---|---|
| IUPAC Name | 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol |
| InChIKey | PGBHMTALBVVCIT-UHFFFAOYSA-N |
| INCHI | 1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2 |
| Molecular Weight | 614.600 |
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 | 4,5-disubstituted 2-deoxystreptamines |
| Alternative Parents | O-glycosyl compounds Disaccharides Aminocyclitols and derivatives Cyclohexylamines Cyclohexanols Oxanes Tetrahydrofurans 1,2-aminoalcohols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 4,5-disubstituted 2-deoxystreptamine - Disaccharide - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Oxane - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Acetal - Organoheterocyclic compound - Oxacycle - Primary alcohol - Hydrocarbon derivative - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Primary amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 614.600 g/mol |
|---|---|
| XLogP3 | -9.000 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 9 |
| Exact Mass | 614.312 Da |
| Monoisotopic Mass | 614.312 Da |
| Topological Polar Surface Area | 353.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 872.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 19 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4,6-Diamino-2-{[3-o-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside , CAS No.4454](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)