Adenosine 5′-phosphosulfate sodium salt (APS) - Moligand™, ≥95%, 10 mM aqueous solution , CAS No.102029-95-8

CAS: 102029-95-8 Cat. No.: A349845 Molecular Weight: 473.3 EC Number: 622-920-7 PubChem CID: 16218925

GRADE & PURITY Moligand™, ≥95%, 10 mM aqueous solution

Synonyms

Adenosine 5'-phosphosulfate sodium salt, >=85% | APS Sodium Salt | SCHEMBL20266318 | DTXSID20585066 | J-000548 | FT-0730087 | Adenosine 5'-phosphosulfate sodium salt | 5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2) | PUBCHEM_16218925

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Adenosine 5′-phosphosulfate sodium salt is a sulfated adenosine monophosphate compound. Adenosine 5′-phosphosulfate sodium salt is the substrate of the enzyme adenosine 5′-phosphosulfate reductase where sulfate uptaken from the environment and borne on. Adenosine 5′-phosphosulfate sodium salt is reduced to sulfite, and upon further transformation becomes available sulfur for subsequent biosynthetic reactions. A doubly phosphorylated analog, 3′-phosphoadenosine-5′-phosphosulfate (PAPS) is ubiquitous and a [35S]PAPS has been described as a photoaffinity ligand for sulfotransferase enzymes.

Specifications

Synonyms

Adenosine 5'-phosphosulfate sodium salt, >=85% | APS Sodium Salt | SCHEMBL20266318 | DTXSID20585066 | J-000548 | FT-0730087 | Adenosine 5'-phosphosulfate sodium salt | 5'-Adenylic acid, anhydride with sulfuric acid, sodium salt (1:1:2) | PUBCHEM_16218925

Specifications & Purity

Moligand™, ≥95%, 10 mM aqueous solution

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.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768381
• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N.[Na]
• InChIKey: KVGKFGUVHSIJFZ-UHFFFAOYSA-N
• INCHI: 1S/C10H14N5O10PS.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)O)O)N.[Na]
• WGK Germany: 3
• PubChem CID: 16218925
• Molecular Weight: 473.3

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 monophosphates
• Alternative Parents: Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Organic sulfuric acids and derivatives 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic alkali metal salts Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Azole - Tetrahydrofuran - Organic sulfuric acid or derivatives - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organic alkali metal salt - Azacycle - Oxacycle - Organoheterocyclic compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
• 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

• Molecular Weight: 450.280 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 450.01 Da
• Monoisotopic Mass: 450.01 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 692.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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