Adenine phosphate - ≥99% , CAS No.70700-30-0

CAS: 70700-30-0 Cat. No.: A112747 Fórmula: C₅H₈N₅O₄P Peso molecular: 233.12 Número CE: 633-221-1

GRAU & PUREZA ≥99%

Synonyms

AKOS015961504 | METHYL4-(3,4-DIAMINOPHENOXY)BENZENECARBOXYLATE | A852108 | AKOS015895413 | EINECS 257-702-7 | W-203889 | AM83910 | 6-Aminopurine phosphate | (3S,2R,4R,5R)-5-(4-amino-2-oxohydropyrimidinyl)-4-hydroxy-2-(hydroxymethyl)oxo lan-3-yl dihydrogen

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Especificações

Sinónimos

AKOS015961504 | METHYL4-(3,4-DIAMINOPHENOXY)BENZENECARBOXYLATE | A852108 | AKOS015895413 | EINECS 257-702-7 | W-203889 | AM83910 | 6-Aminopurine phosphate | (3S,2R,4R,5R)-5-(4-amino-2-oxohydropyrimidinyl)-4-hydroxy-2-(hydroxymethyl)oxo lan-3-yl dihydrogen

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Desiccated

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488188587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188587

Sorrisos canónicos

C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O

IUPAC Name

phosphoric acid;7H-purin-6-amine

InChIKey

CCHNOBQMQBSRHQ-UHFFFAOYSA-N

INCHI

1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)

SMILES isoméricas

C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O

Peso molecular

233.12

Reaxy-Rn

35268203

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35268203&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Organic phosphoric acids and derivatives Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Organic phosphoric acid derivative - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organic oxide - Primary amine - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive.
• Ponto de fusão (°C): 261-263°C
• Peso molecular: 233.120 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 233.031 Da
• Monoisotopic Mass: 233.031 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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: 2

XLogP3