Oxoguanosine - ≥95% , CAS No.15596-14-2

CAS: 15596-14-2 Cat. No.: O955024 PubChem CID: 135756371

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=NC2=C(N1C3C(C(C(O3)C(=O)O)O)O)N=C(NC2=O)N
• IUPAC Name: (2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
• InChIKey: ASAADZNSXOCOCZ-MXSWDONDSA-N
• INCHI: 1S/C10H11N5O6/c11-10-13-6-2(7(18)14-10)12-1-15(6)8-4(17)3(16)5(21-8)9(19)20/h1,3-5,8,16-17H,(H,19,20)(H3,11,13,14,18)/t3-,4+,5-,8+/m0/s1
• Isómeros SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N=C(NC2=O)N
• CAS alternativo: 15596-14-2
• PubChem CID: 135756371

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-oxopurines Hypoxanthines Aminopyrimidines and derivatives Beta hydroxy acids and derivatives Pyrimidones N-substituted imidazoles Primary aromatic amines Heteroaromatic compounds Vinylogous amides Oxolanes Amino acids Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Beta-hydroxy acid - Pyrimidone - N-substituted imidazole - Hydroxy acid - Primary aromatic amine - Pyrimidine - Imidazole - Oxolane - Azole - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Amino acid - Amino acid or derivatives - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 297.220 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 297.071 Da
• Monoisotopic Mass: 297.071 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 512.000
• 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