micronomicin - Moligand™ , CAS No.52093-21-7

CAS: 52093-21-7 Cat. No.: M611867 Peso molecular: 463.58 PubChem CID: 3037206

GRADE & PURITY Moligand™

Synonyms

KW-1062 | S9AZ0R40QV | CHEBI:81283 | Micronomicine [INN-French] | Gentamicin C(sub 2b) | (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-Diamino-3-(((2R,3R,6S)-3-amino-6-((methylamino)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methyl

Storage

Room temperature

Specifications

Sinónimos

KW-1062 | S9AZ0R40QV | CHEBI:81283 | Micronomicine [INN-French] | Gentamicin C(sub 2b) | (2R, 3R, 4R, 5R)-2-(((1S, 2S, 3R, 4S, 6R)-4, 6-Diamino-3-(((2R, 3R, 6S)-3-amino-6-((methylamino)methyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methyl

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CCC(O3)CNC)N)N)N)O
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• InChIKey: DNYGXMICFMACRA-XHEDQWPISA-N
• INCHI: 1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1
• Isómeros SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CNC)N)N)N)O
• PubChem CID: 3037206
• Peso molecular: 463.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: 2-deoxystreptamine aminoglycosides O-glycosyl compounds Aminocyclitols and derivatives Cyclohexylamines Cyclohexanols Oxanes Monosaccharides Tertiary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino cyclitol glycoside - 2-deoxystreptamine aminoglycoside - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Cyclitol or derivatives - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Acetal - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Alcohol - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: 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: aminoglycoside

Data sources

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 463.600 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 463.301 Da
• Monoisotopic Mass: 463.301 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 607.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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