Adenosine 5′-triphosphate disodium salt hydrate - ≥98% , CAS No.34369-07-8

CAS: 34369-07-8 Cat. No.: A111205 Molecular Weight: 551.14(anhydrous basis) EC Number: 685-285-5 PubChem CID: 16218877

GRADE & PURITY ≥98%

Synonyms

Adenosine 5'-triphosphate disodium salt hydrate | disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate | MFCD00150755 | Adenosine-5'-triphosphate disodium salt

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Adenosine 5'-triphosphate disodium salt is a phosphorylated nucleoside used as a form of energy in biological systems. It is a substrate for multiple enzymes and acts as a signaling molecule.
A form of cellular energy

Specifications

Synonyms

Adenosine 5'-triphosphate disodium salt hydrate | disodium;[[[(2R, 3S, 4R, 5R)-5-(6-aminopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate | MFCD00150755 | Adenosine-5'-triphosphate disodium salt

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Purinergic P2 receptor agonist. (EC 50 values are 0.60 (P2X 1 ), 1.3 (P2X 3 ), 9.1 (P2X 4 ) and 0.5 μM (P2X 5 )). Involved in extracellular signalling as a cotransmitter in all nerves, in both the central and peripheral nervous systems.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768377
• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+]
• IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate
• InChIKey: NTBQNWBHIXNPRU-MSQVLRTGSA-L
• INCHI: 1S/C10H16N5O13P3.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+]
• WGK Germany: 3
• Alternate CAS: 987-65-5
• PubChem CID: 16218877
• Molecular Weight: 551.14(anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside triphosphates
• Alternative Parents: Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic zwitterion - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic salt - Amine - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose 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

Chemical and Physical Properties

• Solubility: Soluble in water, insoluble in alcohol and ether.
• Sensitivity: light & heat &moisture sensitive
• Specific Rotation[α]: -19° (C=3,H2O)
• Molecular Weight: 569.160 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 568.97 Da
• Monoisotopic Mass: 568.97 Da
• Topological Polar Surface Area: 286.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 789.000
• 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: 4

XLogP3

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