2′-Deoxyadenosine 5′-triphosphate sodium salt - ≥98% , CAS No.74299-50-6

CAS: 74299-50-6 Cat. No.: A112854 Molecular Weight: 535.15（anhydrous） EC Number: 277-809-2

GRADE & PURITY ≥98%

Synonyms

AS-74828 | Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate | AKOS025147049 | 2'-Deoxyadenosine-5'-triphosphate, sodium salt | 2'-Deoxyadenosine-5'-triphosphate disodium salt | HG1058 | J-700037 | So

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AS-74828 | Sodium ((2R, 3S, 5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate | AKOS025147049 | 2'-Deoxyadenosine-5'-triphosphate, sodium salt | 2'-Deoxyadenosine-5'-triphosphate disodium salt | HG1058 | J-700037 | So

Specifications & Purity

≥98%

Storage

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201769
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201769
• Canonical Smiles: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: JEKDCIBJADJZSK-OJSHLMAWSA-L
• INCHI: 1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]
• Alternate CAS: 1927-31-7
• Molecular Weight: 535.15（anhydrous）

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleotides
      • Subclass Purine deoxyribonucleotides
        • Level5 Purine deoxyribonucleoside triphosphates
          • Level6 Purine 2'-deoxyribonucleoside triphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleotides
• Subclass: Purine deoxyribonucleotides
• Intermediate Tree Nodes: Purine deoxyribonucleoside triphosphates
• Direct Parent: Purine 2'-deoxyribonucleoside triphosphates
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Alkyl phosphates Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside triphosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Azole - Imidazole - Oxolane - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Organic alkali metal salt - Organic salt - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organic sodium salt - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
• 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.
• Sensitivity: Moisture sensitive
• Molecular Weight: 535.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 534.965 Da
• Monoisotopic Mass: 534.965 Da
• Topological Polar Surface Area: 265.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 758.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 3

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