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

• ChemBase ID: 73228
• Molecular Formular: C10H14N5Na2O13P3
• Molecular Mass: 551.144683
• Monoisotopic Mass: 550.95963399
• 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+]
• Canonical 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+]
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: Adenosine-Triphosphate; ATP (Adenosine-Triphosphate); ATP; Adenosine 5′-triphosphate disodium salt solution

Database IDs

• CAS Number: 987-65-5
• MDL Number: MFCD00080339
• PubChem SID: 24891106; 162038148
• PubChem CID: 13803

CALCULATED PROPERTIES

• Acid pKa: 0.8952464
• H Acceptors: 14
• H Donor: 5
• LogD (pH = 5.5): -9.829965
• LogD (pH = 7.4): -10.469803
• Log P: -5.997649
• Molar Refractivity: 93.5709 cm^3
• Polarizability: 38.407715 Å^3
• Polar Surface Area: 284.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: -20°C

Product Information

• Concentration: 100 mM in H2O (adjusted to pH 7 with Trizma®base)
• Salt Data: Sodium salt
• Foreign Activity: DNase, RNase, none detected
• Shipped in: dry ice

DETAILS

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

REFERENCES

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