Adenosine Triphosphate Disodium
Basic information
- CAS
987-65-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]1O.[Na+].[Na+]- InChIKey
TTWYZDPBDWHJOR-IDIVVRGQSA-L- Molecular formula
- C10H14N5Na2O13P3
- Average molar mass
- 551.14 g/mol
- Monoisotopic mass
- 550.95963508
Overview
See also: WLP40 (FDA NDC: 62185-0056) (component of); REFL HS (FDA NDC: 43742-2090) (component of); R07 PITUITARY (FDA NDC: 63479-1807) (component of) ... View More ...
Names & identifiers
- Preferred name
- Adenosine Triphosphate Disodium
- IUPAC
- disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
- English name
- ATP disodium salt
- Molecular formula
- C10H14N5Na2O13P3
- Molecular weight
- 531.18
Names & synonyms
ATP disodium saltAdenosine triphosphate disodiumAdetideAdetphosTriadesin AAdenosine 5'-triphosphate disodium saltDisodium adenosine triphosphateDisodium ATPFosfobion disodium saltDisodium dihydrogen ATPEINECS 213-579-1Adenosine 5'-Triphosphate, disodium salt
Show more names
ATP-NA2Adenosine disodium triphosphateATP DISODIUMADENOSINE TRIPHOSPHATE, DISODIUM SALTATP 2NAdisodiumatpATP DISODIUM SALT TRIHYDRATE
ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), DISODIUM SALTNSC 20268Adenosine triphosphate disodium [JAN]Disodium adenosine 5'-triphosphateDTXSID80891312Adenosine 5'-(disodium triphosphate)Adenosine-5'-triphosphate disodium saltAdenosine-5'-triphosphate, disodium salt
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 789
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Disodium Adenosine Triphosphate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
Physicochemical properties
- Melting point
- 188 · 188~190℃
- Density
- 1.85 at · 1.85 at 20℃
- vapor pressure
- 0.1 Pa · 0.1Pa at 20-50℃
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- crystalline
- color
- White powder
- PH Range
- 2.5 · 2.5 - 3.5
- Water Solubility
- Soluble in water
- Merck
- 155 · 155
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- Cosmetic Ingredient Review (CIR)
- ATP disodium salt (987-65-5)
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.2% (109 of 111) of all reports.
Not Classified
Aggregated GHS information provided per 111 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
REACH registered substance: Adenosine 5'-(tetrahydrogen triphosphate), disodium salt (EC: 213-579-1)
Adenosine 5'-(tetrahydrogen triphosphate), disodium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AU7417000
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Disodium Adenosine Triphosphate
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationAdenosine 5'-(tetrahydrogen triphosphate), sodium salt (1:2): ACTIVE
Applications
DescriptionATP disodium salt (Adenosine 5'-triphosphate disodium salt, ATP-Na2) is an organic sodium salt. It consists of an ATP and a ({(2R,3S,4R,5R)-3,4-dihydroxy-5-(9h -purin-9-yl)oxolan-2-yl)methylphosphonatooxy)phosphonate. It has the role of providing a source of energy for cells and is a central component of energy storage and metabolism in the body. ATP disodium salt is an important endogenous signalling molecule in immunity and inflammation. It is an important component in the study of various physiological and biochemical processes. It is involved in a variety of cellular functions such as muscle contraction, nerve impulse transmission and membrane transport, making it a fundamental molecule for understanding biological mechanisms. It can also be used to photometrically determine Luc activity in cell extracts.
UsesA 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. ATP Disodium Salt (ATP-Na2) is used in the synthetic preparation of ribose-modified deoxyadenosine bisphosphate analogues as P2Y1 receptor ligands.
Related reactions
1 records
Compound notes
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