Professional Product Parameters: CAS 16178-48-6 (Adenosine 5'-Diphosphate Disodium Salt, ADP?Na?)

1. Basic Identification

• CAS No.：16178?48?6
• Product Name：Adenosine 5'-Diphosphate Disodium Salt; ADP?Na?; 5'-ADP Disodium Salt; Adenosine?5'?diphosphate sodium salt
• IUPAC Name：Disodium [(2R,3S,4R,5R)-5-(6?aminopurin?9?yl)-3,4?dihydroxyoxolan?2?yl]methyl phosphono hydrogen phosphate
• Synonyms：5'-ADP?Na?; ADP Sodium Salt; Adenosine?5'?diphosphate disodium salt hydrate
• MDL：MFCD00066635
• EINECS：240?314?7.
• InChIKey：UQPYJHEWJOCQDZ?UHFFFAOYSA?L

2. Chemical Data

• Molecular Formula：C??H??N?Na?O??P? (anhydrous); C??H??N?Na?O??P?·2H?O (dihydrate)
• Molecular Weight：471.16 g/mol (anhydrous); 507.17 g/mol (dihydrate)
• Exact Mass：470.99 Da
• Elemental Analysis：C 25.49%, H 2.78%, N 14.86%, Na 9.76%, O 33.96%, P 13.15%ChemicalBo...
• Calculated LogP：?4.32
• TPSA：220.00 ?2
• Hydrogen Bond Donors：5
• Hydrogen Bond Acceptors：15
• Rotatable Bonds：8

3. Physical & Chemical Properties

• Appearance：White to off?white crystalline or amorphous powder; odorless
• Solubility：
  • Water：Freely soluble (≈50 mg/mL at 25°C)
  • Ethanol, methanol, DMSO：Very slightly soluble
  • Chloroform, ether：Insoluble
• UV Spectrum：λmax = 259 nm (ε = 15,400 M?1·cm?1, pH 7); λmin = 227 nm
• Boiling Point：877.7 °C (760 mmHg)
• Flash Point：484.6 °C
• pH (1% aqueous solution)：6.0–8.0
• Stability：Hygroscopic; sensitive to light, heat, and moisture; stable under inert gas (N?/Ar); avoid strong acids/bases
• Storage：
  • Short?term：2–8 °C, dry, light?proof, sealed
  • Long?term：?20 °C, inert atmosphere, anhydrous
• Shelf Life：24 months (proper storage)

4. Product Specifications (Typical Biochemical/Pharmaceutical Grade)

• Purity：≥98.0% (HPLC); ≥99.0% (Premium Grade)
• Single Maximum Impurity：≤1.0%
• Total Impurities：≤2.0%
• Related Substances：AMP ≤0.5%, ATP ≤0.5%
• Moisture：≤8.0% (Karl Fischer)
• Heavy Metals：Total ≤20 ppm; Pb ≤2.0 ppm, As ≤1.5 ppm, Cd ≤1.0 ppm
• Residue on Ignition：≤1.0%
• Endotoxin：≤5 EU/mg (for injectable grade)
• Specific Rotation：?25.0° to ?30.0° (c=10 mg/mL, H?O)
• Grade：Biochemical Reagent; Pharmaceutical Intermediate; Research Grade
• Packing：100 mg, 500 mg, 1 g, 5 g, 10 g, 25 kg (aluminum foil bag, fiber drum)Tokyo Chem...

5. Biological Function & Applications

• Mechanism：
  • Key adenine nucleotide in cellular energy metabolism; precursor to ATP via ATP synthase
  • Platelet agonist (activates P2Y1/P2Y12 receptors) inducing aggregation
  • Participates in nucleic acid synthesis and signal transduction pathways
• Core Bioactivity：
  • Energy transfer and storage (ATP ? ADP cycle)
  • Platelet aggregation induction (hemostasis/thrombosis research)
  • Substrate for kinases, phosphatases, and nucleotide?dependent enzymes
• Applications：
  • Biochemical research (energy metabolism, enzymology, cell signaling)
  • Pharmaceutical intermediate (anti?thrombotic drug development)
  • Diagnostic reagent (platelet function assays)
  • Cell culture supplement (energy source for in vitro models)

6. Safety & Handling Instructions

• GHS Classification：Not classified as hazardous; no acute toxicity reported
• Handling：Avoid inhalation, skin/eye contact; use in fume hood; wear PPE (gloves, goggles)
• Disposal：Dispose per local chemical waste regulations
• Note：For laboratory research and pharmaceutical development only