8-Bromoinosine - ≥95% , CAS No.55627-73-1

CAS: 55627-73-1 Cat. No.: B467332 Summenformel: C₁₀H₁₁BrN₄O₅ Molekulargewicht: 347.12 EG-Nummer: 259-730-5 PubChem CID: 135462273

QUALITÄT & REINHEIT ≥95%

Synonyms

8-Bromoinosine | 8-BROMO-9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE | 8-Bromoinsine | NSC 237840 | AS-47254 | MFCD00037986 | (2R,3R,4S,5R)-2-(8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | EIN

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Synonyme

8-Bromoinosine | 8-BROMO-9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE | 8-Bromoinsine | NSC 237840 | AS-47254 | MFCD00037986 | (2R,3R,4S,5R)-2-(8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | EIN

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(O3)CO)O)O)Br

IUPAC Name

8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

InChIKey

XCAXTILLADBPII-UUOKFMHZSA-N

INCHI

1S/C10H11BrN4O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,12,13,19)/t3-,5-,6-,9-/m1/s1

Isomere SMILES

C1=NC2=C(C(=O)N1)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br

WGK Deutschland

3

PubChem CID

135462273

Molekulargewicht

347.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Klasse Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Klasse: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-oxopurines Hypoxanthines Pentoses Pyrimidones Aryl bromides N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organobromides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Pentose monosaccharide - Purinone - Imidazopyrimidine - Purine - Pyrimidone - Aryl bromide - Aryl halide - N-substituted imidazole - Monosaccharide - Pyrimidine - Azole - Tetrahydrofuran - Vinylogous amide - Imidazole - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 347.120 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 345.991 Da
• Monoisotopic Mass: 345.991 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 438.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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