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ATP disodium trihydrate

CAT: 1568-C03490-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C03490-01Size:100 mg
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CAS Number
51963-61-2
Synonyms
Adenosine-5'-triphosphate disodium trihydrate
SKU
C03490-100mg
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Additionnal Information
ATP disodium trihydrate, is the primary energy currency of the cell, essential for intracellular energy metabolism. It regulates extracellular biological processes, including cardiac function, neurotransmission, muscle contraction, vasodilation, bone and liver glycogen metabolism, and inflammation. It also plays a crucial role in initiating immune responses during infections.

Chemical Information

Adenosine triphosphate disodium trihydrate
CAS Number51963-61-2
PubChem CID6096884
IUPAC Namedisodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate;trihydrate
Molecular FormulaC10H20N5Na2O16P3
Molecular Weight605.19
Topological Polar Surface Area288
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity788
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.O.O.O.[Na+].[Na+]
InChI
InChI=1S/C10H16N5O13P3.2Na.3H2O/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);;;3*1H2/q;2*+1;;;/p-2/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKey
MWEQTWJABOLLOS-AZGWGOJFSA-L
Chemical Structure
2D Structure
2D structure of Adenosine triphosphate disodium trihydrate
CAS: 51963-61-2
CID: 6096884
Formula: C10H20N5Na2O16P3
MW: 605.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.19
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Exact Mass604.99132912
Monoisotopic Mass604.99132912
Topological Polar Surface Area288 Ų
Heavy Atom Count36
Formal Charge0
Complexity788
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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