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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 | CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O |
|---|---|
| IUPAC Name | 2-[3-(diaminomethylideneamino)-4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine |
| InChIKey | ASXBYYWOLISCLQ-UHFFFAOYSA-N |
| INCHI | 1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28) |
| Molecular Weight | 583.6 |
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 |
| Direct Parent | Aminocyclitol glycosides |
| Alternative Parents | O-glycosyl compounds Cyclohexanols Oxanes Monosaccharides Cyclitols and derivatives Tetrahydrofurans Tertiary alcohols Guanidines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Dialkylamines Carboximidamides Acetals Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Amino cyclitol glycoside - Glycosyl compound - O-glycosyl compound - Cyclohexanol - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - 1,2-aminoalcohol - Secondary alcohol - Guanidine - Carboximidamide - Acetal - Secondary amine - Secondary aliphatic amine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Amine - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. |
| External Descriptors | Not available |
| Molecular Weight | 583.600 g/mol |
|---|---|
| XLogP3 | -8.200 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 9 |
| Exact Mass | 583.281 Da |
| Monoisotopic Mass | 583.281 Da |
| Topological Polar Surface Area | 340.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 911.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 15 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![1,1'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine , CAS No.3069](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)