ADENINE SULFATE - ≥99% , CAS No.6509-19-9

CAS: 6509-19-9 Cat. No.: A770249 Peso molecular: 368.33 Beilstein Registry Number: 26420 Número EC: 112-058-5 PubChem CID: 44134512

GRADE & PURITY ≥99%

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.O.O.OS(=O)(=O)O
• IUPAC Name: 7H-purin-6-amine;sulfuric acid;dihydrate
• InChIKey: MKPCNMXYTMQZBE-UHFFFAOYSA-N
• INCHI: 1S/2C5H5N5.H2O4S.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2
• Isómeros SMILES: C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.O.O.OS(=O)(=O)O
• RTECS: AU7140000
• PubChem CID: 44134512
• Peso molecular: 368.33
• Beilstein: 26420
• Reaxy-Rn: 3820263

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Organic sulfuric acids Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 6-aminopurine - Aminopyrimidine - Sulfuric acid - Pyrimidine - Imidolactam - Azole - Imidazole - Organic sulfuric acid or derivatives - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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: 404.370 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 404.097 Da
• Monoisotopic Mass: 404.097 Da
• Topological Polar Surface Area: 246.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 5

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