Adenosine 5'-Diphosphate Disodium Salt - Moligand™,≥98%(N) , CAS No.16178-48-6

CAS: 16178-48-6 Cat. No.: A107042 Molecular Weight: 471.16 Beilstein Registry Number: 7563620 EC Number: 240-314-7 PubChem CID: 85315

GRADE & PURITY Moligand™, ≥98%(N)

Synonyms

5'-ADP-Na2 | Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen diphosphate | Adenosine 5,-diphosphate disodium salt | disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophos

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5'-ADP-Na2 | Sodium ((2R, 3S, 4R, 5R)-5-(6-amino-9H-purin-9-yl)-3, 4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen diphosphate | Adenosine 5, -diphosphate disodium salt | disodium;[[(2R, 3S, 4R, 5R)-5-(6-aminopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-oxidophos

Specifications & Purity

Moligand™, ≥98%(N)

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.

Grade

Moligand™

Purity

≥98%(N)

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
• IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: ORKSTPSQHZNDSC-IDIVVRGQSA-L
• INCHI: 1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/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)[O-])O)O)N.[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 85315
• Molecular Weight: 471.16
• Beilstein: 7563620
• Reaxy-Rn: 3645656

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

• Sensitivity: Heat、Moisture、Light sensitive
• Specific Rotation[α]: -31 ° (C=0.5, 0.5M Na2HPO4)
• Molecular Weight: 471.170 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 470.993 Da
• Monoisotopic Mass: 470.993 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 627.000
• 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: 3

XLogP3

References

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2. Zhiwen Gan, Tian Zhang, Xuanxuan An, Qin Tan, Shujun Zhen, Yongmei Hu, Xiaoli Hu.  (2022)  Dual enzyme-mimicking fluorescent amino terephthalic acid/CuFe/adenosine triphosphate nanoparticles for determination of H2O2 and ascorbic acid.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107939]

3. Wang Jiaqi, Wang Chen, Fan Li, Zhao Liang, Tan Wen-Song.  (2019)  Simultaneous detection of nicotinamide adenine nucleotides and adenylate pool to quantify redox and energy states in mAb-producing CHO cells by capillary electrophoresis.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (13): (2971-2979).  [PMID:30923861] [10.1007/s00216-019-01747-9]

4. Yihui Hu, Wenjing Guo, Yubin Ding, Hanjun Cheng, Hui Wei.  (2016)  Modulating luminescence of Tb3+ with biomolecules for sensing heparin and its contaminant OSCS.  BIOSENSORS & BIOELECTRONICS,      [PMID:27494809] [10.1016/j.bios.2016.07.085]

5. Dan Liu, Tianbin Zhang, Yechun Cheng, Qiong Jia.  (2014)  Poly(glycidyl methacrylate-co-N-methylolacrylamide-co-ethylene dimethacrylate) monolith coupled to high-performance liquid chromatography for the determination of adenosine phosphates in royal jelly.  JOURNAL OF SEPARATION SCIENCE,  37  (14): (1826-1833).  [PMID:24753458] [10.1002/jssc.201400187]

6. Liwei Zhu, Ting Liu, Zelong Duan, Ling Wang, Xuefan Qiu, Zhihan Sun, Chencan Li.  (2024)  Adenosine triphosphatase synergetic cobalt metal-organic frameworks with enhanced peroxidase-like activity for L-cystine detection.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2024.122375]

7. Guobin Huang, Qian Xie, Jinxin Chi, Chenchen Lin, Xucong Lin, Zenghong Xie.  (2024)  Magneto-fluorescent nanobiosensor with tetrahedral framework nucleic acid-confined aptamer for trace adenosine triphosphate detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2024.136129]

8. Yunjie Ren, Yueyuan Li, Min Qing, Yonghua Yuan, Jing Zhou, Lijuan Bai.  (2025)  MOF-Wrapped Cu Nanocluster-Based Fluorescent Sensor Array for Phosphates High-Throughput Analysis and Their Enzymatic Hydrolysis Monitoring.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.5c02996]

9. Wenhui Qu, Luying Tang, Ruoshu Li, Weijia Liu, Xiaoming Jiang, Qing Kong, Yunqi Wen, Changhu Xue.  (2025)  Using machine learning method to predict the quality of fermented krill sauce based on the freshness of Antarctic krill.  FOOD CHEMISTRY,      [PMID:41499898] [10.1016/j.foodchem.2025.147833]