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Adenosine disodium triphosphate

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Description
Adenosine triphosphate (ATP) is a nucleoside triphosphate used in cells as a coenzyme often called the "molecular unit of currency" of intracellular energy transfer.
CAS Number
34369-07-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
551.15
Molecular Formula
C10H14N5Na2O13P3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Adenosine 5'-triphosphate disodium salt hydrate
CAS Number34369-07-8
PubChem CID16218877
IUPAC Namedisodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate
Molecular FormulaC10H16N5Na2O14P3
Molecular Weight569.16
Topological Polar Surface Area286
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity789
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.[Na+].[Na+]
InChI
InChI=1S/C10H16N5O13P3.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
NTBQNWBHIXNPRU-MSQVLRTGSA-L
Chemical Structure
2D Structure
2D structure of Adenosine 5'-triphosphate disodium salt hydrate
CAS: 34369-07-8
CID: 16218877
Formula: C10H16N5Na2O14P3
MW: 569.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.16
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass568.97019976
Monoisotopic Mass568.97019976
Topological Polar Surface Area286 Ų
Heavy Atom Count34
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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