Phosphate d'adénine - ≥99% , CAS No.70700-30-0

CAS: 70700-30-0 Cat. No.: A112747 Formule: C₅H₈N₅O₄P Poids moléculaire: 233.12 Numéro CE: 633-221-1

QUALITÉ & PURETÉ ≥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,Desiccated,Room temperature

Shipped In

Normal

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Desiccated,Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488188587

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Point de fusion (°C): 261-263°C
• Poids moléculaire: 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