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

CAS: 70700-30-0 Cat. No.: A112747 Summenformel: C₅H₈N₅O₄P Molekulargewicht: 233.12 EG-Nummer: 633-221-1

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488188587

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Schmelzpunkt (°C): 261-263°C
• Molekulargewicht: 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