Adenosine 5'-triphosphate disodium salt
- Iupac Name：disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
- CAS No.: 987-65-5
- Molecular Weight：507.181023
- Modify Date.: 2022-11-29 06:11
- Introduction: A metabolite of Adenosine (A280400), a multifunctional nucleoside triphosphate used in cells as a coenzyme of intracellular energy transfer. It transports chemical energy within cells for metabolism.
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1. Names and Identifiers
- 1.1 Name
- Adenosine 5'-triphosphate disodium salt
- 1.2 Synonyms
Adenosine 5'-(disodium triphosphate) Adenosine 5'-(tetrahydrogen triphosphate), disodium salt Adenosine 5-Triphosphate Disodium Salt Adenosine 5'-triphosphate, disodium salt adenosine triphosphate disodium Adenosine, 5'-(tetrahydrogen triphosphate), sodium salt (1:2) Adenosine-5'-triphosphate disodium salt Adetphos Adinosine Triphosphate Disodium Atenen ATP ATP (disodium salt) ATP disodium ATP disodium salt ATP-Disodium Salt Circulen Disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine Disodium 5'-O-[({hydroxy[(hydroxyphosphinato)oxy]phosphoryl}oxy)phosphinato]adenosine Disodium adenosine 5'-triphosphate Disodium adenosine triphosphate DISODIUM ATP EINECS 213-579-1 MFCD00080339 Trinosin UNII-5L51B4DR1G
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- 1.3 CAS No.
- 987-65-5
- 1.4 CID
- 13803
- 1.5 EINECS(EC#)
- 213-579-1
- 1.6 Molecular Formula
- C10H14N5Na2O13P3 (isomer)
- 1.7 Inchi
- InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
- 1.8 InChIkey
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- 1.9 Canonical Smiles
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
- 1.10 Isomers Smiles
- C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
2. Properties
- 2.1 Density
- 2.63
- 2.1 Melting point
- 188-190℃
- 2.1 Boiling point
- 951.4°Cat760mmHg
- 2.1 Flash Point
- 951.4°Cat760mmHg
- 2.1 Precise Quality
- 550.96000
- 2.1 PSA
- 314.22000
- 2.1 logP
- -0.17140
- 2.1 Solubility
- H2O: 50?mg/mL
- 2.2 Appearance
- crystalline
- 2.3 Chemical Properties
- White powder
- 2.4 Color/Form
- White powder
- 2.5 Water Solubility
- H2O: 50?mg/mL
- 2.6 Stability
- Stable under normal temperatures and pressures.
- 2.7 StorageTemp
- 2-8°C
3. Use and Manufacturing
- 3.1 Usage
- A metabolite of Adenosine (A280400), a multifunctional nucleoside triphosphate used in cells as a coenzyme of intracellular energy transfer. It transports chemical energy within cells for metabolism.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S22;S24/25
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- AU7417000
- 4.1 Toxicity
- Oral-rat LD50: >2000mg/kg;Oral-Mouse LD50: 2000mg/kg
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Other Information
- 7.0 Storage features
- Treasury is ventilated, low temperature and dry; stored separately from food materials
- 7.1 Manufacturing Info
- Adenosine 5'-(tetrahydrogen triphosphate), sodium salt (1:2): ACTIVE
- 7.2 Use Classification
- Cosmetics -> Skin conditioning
8. Computational chemical data
- Molecular Weight: 507.181023g/mol
- Molecular Formula: C10H14N5Na2O13P3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 550.95963508
- Monoisotopic Mass: 550.95963508
- Complexity: 789
- Rotatable Bond Count: 8
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 17
- Topological Polar Surface Area: 285
- Heavy Atom Count: 33
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADccBzvDMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Question & Answer
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Adenosine 5'-triphosphate disodium salt is an organic compound commonly used in the pharmaceutical industry. It is soluble in water and has a melting point ranging from 188 to 190 degrees Celsius. Som..
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Adenosine 5'-triphosphate disodium salt plays a crucial role in the production of glutathione and is mainly used in the pharmaceutical industry, attracting significant attention from scholars. However..
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Adenosine 5'-triphosphate disodium salt is a derivative of nucleotides and is essential for the human body. It can be metabolized by the liver and a small amount is excreted through the kidneys. It ca..
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Adenosine 5'-triphosphate disodium salt, also known as DISODIUM ADENOSINE TRIPHOSPHATE, is commonly used in cosmetics and skincare products as a skin conditioner. It is considered safe to use with a r..
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