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ELX-02 , CAS No.1375073-93-0

COA

Grade & Purity:

Moligand™

Cas Number: 1375073-93-0
PubChem CID: 71461382

In stock

Item Number

E610108

Grouped product items
SKU	Size	Availability	Price	Qty
E610108-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
E610108-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

Basic Description

Synonyms	4-O-(2-AMINO-2,7-DIDEOXY-D-GLYCERO-.ALPHA.-D-GLUCOHEPTOPYRANOSYL)-5-O-(5-AMINO-5,6-DIDEOXY-.ALPHA.-L-TALOFURANOSYL)-2-DEOXY-D-STREPTAMINE \| EX-A7401 \| (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihy
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 Aminoglycosides
        Level7 Aminocyclitol glycosides
        Level8 2-deoxystreptamine aminoglycosides
        Level9 4,5-disubstituted 2-deoxystreptamines

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 Aminocyclitols and derivatives Cyclohexylamines Cyclohexanols Oxanes Monosaccharides Tetrahydrofurans 1,2-aminoalcohols Oxacyclic compounds Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	4,5-disubstituted 2-deoxystreptamine - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Tetrahydrofuran - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Acetal - Oxacycle - Alcohol - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus subtilis (32866 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
INCHI	InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
InChIKey	KJBRSTPUILEBDR-DBMIJKFDSA-N
Smiles	N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O
Isomeric SMILES	C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O)N)N)N)O)O)O)N
PubChem CID	71461382

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	482.500 g/mol
XLogP3	-5.500
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	482.259 Da
Monoisotopic Mass	482.259 Da
Topological Polar Surface Area	262.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	652.000
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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