CAS 987-65-5|Adenosine-Triphosphate|disodium hydrogen [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate|ATP (Adenosine-Trip...

基本信息

化学结构

分子式

C₁₀H₁₄N₅Na₂O₁₃P₃

分子量

551.144683

精确质量

550.95963399

电荷

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

InChIKey

TTWYZDPBDWHJOR-IDIVVRGQSA-L

Canonic Smiles

O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]

Isomeric Smiles

O1[C@H]([C@@H]([C@@H]([C@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)O)O)n1cnc2c1ncnc2N.[Na+].[Na+]

计算属性

JChem

Acid pKa

0.8952464

质子受体

质子供体

LogD (pH = 5.5)

-9.829965

LogD (pH = 7.4)

-10.469803

Log P

-5.997649

摩尔折射率

93.5709

极化性

38.407715

极化表面积

284.79

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Adenosine-TriphosphateATP (Adenosine-Triphosphate)ATPAdenosine 5′-triphosphate disodium salt solution

IUPAC标准名

disodium hydrogen [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]phosphonate disodium {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (hydrogen phosphonatooxy)phosphonate

IUPAC传统名

disodium hydrogen {[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxyphosphonate disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl hydrogen phosphonatooxyphosphonate

名称和标识

数据登录号

PubChem CID

PubChem SID

CAS号

MDL号

数据登录号

化合物性质

产品相关信息

成盐信息

Sodium salt

Foreign Activity

DNase, RNase, none detected

运输包装

dry ice

浓度

100 mM in H2O (adjusted to pH 7 with Trizma®base)

安全信息

保存条件

-20°C

Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Selleck Chemicals

S1985

Research Area: Metabolic Disease
Biological Activity:
ATP is a disodium salt form of adenosine-triphosphate which is a multifunctional nucleoside triphosphate. [1] ATP (Adenosine-Triphosphate) transports chemical energy within cells for metabolism. ATP (Adenosine-Triphosphate) is produced by photophosphorylation and cellular respiration and used by enzymes and structural proteins in many cellular processes, including biosynthetic reactions, motility, and cell division. One molecule of ATP (Adenosine-Triphosphate) contains three phosphate groups, and it is produced by ATP synthase from inorganic phosphate and adenosine diphosphate (ADP) or adenosine monophosphate (AMP). ATP (Adenosine-Triphosphate) is also a signalling molecule. ATP (Adenosine-Triphosphate) is used by kinases as the source of phosphate groups in their phosphate transfer reactions. Kinase activity on substrates such as proteins or membrane lipids are a common form of signal transduction. Phosphorylation of a protein by a kinase can activate this cascade such as the mitogen-activated protein kinase cascade. [2]References on ATP (Adenosine-Triphosphate)[1] http://en.wikipedia.org/wiki/Adenosine_triphosphate, , [2] Trends Pharmacol Sci., 2006 Mar, 27(3):166-76

Sigma Aldrich

A6559

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
For use in DNA-dependent RNA polymerase transcription
法律信息
Trizma is a registered trademark of Sigma-Aldrich Co. LLC

描述信息

参考文献

PubChem文献

数据源提供

• Burnstock G. Trends Pharmacol Sci. 2006 Mar;27(3):166-76.

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性