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ATP disodium salt hydrate

CAT: 0013-GTR19171622-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171622-01Size:500 mg
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Description
ATP disodium salt hydrate
CAS Number
34369-07-8
Product Name Alternative
EndogenousMetabolite, Endogenous Metabolite, ATP disodium, ATP disodium salt, Adenosine 5'-triphosphate disodium salt, Adenosine disodium triphosphate
Field of Research
Metabolism Research
Purity
98.79% (May vary between batches)
Solubility
H2O:100 mg/mL (175.7 mM) ; DMSO:Insoluble
Smiles
O.[Na+].[Na+].Nc1ncnc2n (cnc12) C1OC (COP (O) (=O) OP ([O-]) (=O) OP (O) ([O-]) =O) C (O) C1O
Molecular Formula
C10H16N5Na2O14P3
Molecular Weight
569.16
Storage Conditions
-20°C
Notes
For research use only.

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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