2′-Deoxyadenosine 5′-di-phos-phate sodium salt - ≥98% , CAS No.72003-83-9

CAS: 72003-83-9 Cat. No.: D119527 Molecular Weight: 411.2(free acid basis) EC Number: 276-280-5 PubChem CID: 44150064

GRADE & PURITY ≥98%

Synonyms

dADP | disodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate | 2-Deoxyadenosine-5-diphosphatesodiumsalt | disodium hydrogen ({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2′-Deoxyadenosine 5′-diphosphate (dADP) may be used for the synthesis of deoxyadenylate oligonucleotides with enzymes such as polynucleotide phosphorylase from Escherichia coli. dADP is used as an inhibitor of bacterial poly(A) polymerase. DeoxyADP may be use as an alternative substrate or inhibitor for studies of ATPase and DNA and RNA polymerase specificity.
may be used for the synthesis of deoxyadenylate oligonucleotides with enzymes such as polynucleotide phosphorylase from Escherichia coli

Specifications

Synonyms

dADP | disodium;[[(2R, 3S, 5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate | 2-Deoxyadenosine-5-diphosphatesodiumsalt | disodium hydrogen ({[(2R, 3S, 5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphon

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200968
• Canonical Smiles: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=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-oxidophosphoryl] hydrogen phosphate
• InChIKey: QPOQRKUWBIAHBO-OJSHLMAWSA-L
• INCHI: 1S/C10H15N5O9P2.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(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)[O-])O.[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 44150064
• Molecular Weight: 411.2(free acid basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleotides
• Subclass: Purine deoxyribonucleotides
• Intermediate Tree Nodes: Purine deoxyribonucleoside diphosphates
• Direct Parent: Purine 2'-deoxyribonucleoside diphosphates
• Alternative Parents: 6-aminopurines Organic pyrophosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic sodium salts Primary amines Organic zwitterions Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside diphosphate - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Oxolane - Secondary alcohol - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Oxacycle - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Amine - Organic salt - Primary amine - Organic oxygen compound - Organic sodium salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate 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.
• Molecular Weight: 455.170 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 454.998 Da
• Monoisotopic Mass: 454.998 Da
• Topological Polar Surface Area: 218.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 597.000
• 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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