基本情報
- CAS
987-65-5- 標準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- 分子式
- C10H14N5Na2O13P3
- 平均分子量
- 551.14 g/mol
- 単同位体質量
- 550.95963508
概要
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 ...
名称と識別子
- 優先名称
- 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
- 現地名
- トリホスアデニン二ナトリウム
- 英語名
- ATP disodium salt
- 分子式
- C10H14N5Na2O13P3
- 分子量
- 531.18
名称と別名
ATP disodium saltAdenosine triphosphate disodiumAdetideAdetphosTriadesin AAdenosine 5'-triphosphate disodium saltDisodium adenosine triphosphateDisodium ATPFosfobion disodium saltDisodium dihydrogen ATPEINECS 213-579-1Adenosine 5'-Triphosphate, disodium salt
名称をさらに表示
アデノシン5'-三りん酸二ナトリウム水和物アデノシン5'-三りん酸二水素γ,γ-二ナトリウムアデホスLATPジナトリウム塩アデシノンPトリノシンSアデノPアデノシン三りん酸ジナトリウムアデノシン-5'-三りん酸γ,γ-ジナトリウムアデノシン5'-三りん酸γ,γ-ジナトリウムアデホスコーワアデホストリノシンアデノシン三リン酸二ナトリウムアデタイドアデノシン三リン酸２ＮａATP二ナトリウム塩三りん酸アデノシン二ナトリウム HYDRATEアデノシン-5'-三りん酸二ナトリウム塩5'-三りん酸アデノシン二ナトリウム塩ATP-NA2Adenosine disodium triphosphateATP DISODIUM
物性
構造計算による物性
- 極性表面積
- 285 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 17
- 回転可能結合数
- 8
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 789
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Disodium Adenosine Triphosphate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
物理化学的性質
- 融点
- 188 · 188~190℃
- 比重(密度)
- 1.85 at · 1.85 at 20℃
- 蒸気圧
- 0.1 Pa · 0.1Pa at 20-50℃
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 2 O: · H2O: 50 mg/mL
- 外見
- 結晶性
- 色
- 白い粉
- 水溶解度
- 水に溶ける
- Merck
- 155 · 155
- 化粧品成分の機能
- スキンコンディショニング
- InChIKey
- TTWYZDPBDWHJOR-IDIVVRGQSA-L
- SMILES
- [Na+].[Na+].Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]3O
- LogP
- -2.66 at · -2.66 at 24℃ and pH7
- 表面張力
- 67.86 mN/m · 67.86mN/m at 1.019g/L and 20℃
- CAS データベース
- 987 · 987-65-5(CAS DataBase Reference)
- EPAの化学物質情報
- 5 · Adenosine 5'-(tetrahydrogen triphosphate), disodium salt (987-65-5)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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
毒性情報
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
安全データ
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AU7417000
- hs_code
- 29389090
- risk_code
- 36/37/38
- hazard_code
- Xi
化学と産業
用途と製造
UsesCIR ingredient: Disodium Adenosine Triphosphate
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationAdenosine 5'-(tetrahydrogen triphosphate), sodium salt (1:2): ACTIVE
応用分野
説明ATP 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.
使用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. ATP Disodium Salt (ATP-Na2) is used in the synthetic preparation of ribose-modified deoxyadenosine bisphosphate analogues as P2Y1 receptor ligands.
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