Garamine - ≥97% , CAS No.49751-51-1

CAS: 49751-51-1 Cat. No.: G930292 Summenformel: C19H39N3O12 Molekulargewicht: 501.52 PubChem CID: 14699895

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)O)N)N)O
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• InChIKey: ONKJLIUSEXIAKL-QUDADGMASA-N
• INCHI: 1S/C13H27N3O6/c1-13(20)4-21-12(9(19)11(13)16-2)22-10-6(15)3-5(14)7(17)8(10)18/h5-12,16-20H,3-4,14-15H2,1-2H3/t5-,6+,7+,8-,9+,10-,11+,12+,13-/m0/s1
• Isomere 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)N)N)O
• PubChem CID: 14699895
• Molekulargewicht: 501.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Aminosaccharides
          • Ebene6 Aminoglycosides
            • Ebene7 Aminocyclitol glycosides

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

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 321.370 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 321.19 Da
• Monoisotopic Mass: 321.19 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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