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Adenosine disodium triphosphate hydrate

CAT: 1568-C14208-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14208-25mgSize:25 mg
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CAS Number
34369-07-8
Synonyms
ATP disodium
Target
Others
Applications
Others
Smiles
C1=NC (=C2C (=N1) N (C=N2) C3C (C (C (O3) COP (=O) (O) OP (=O) ([O-]) OP (=O) (O) [O-]) O) O) N.O.[Na+].[Na+]
Molecular Formula
C10H14N5Na2O13P3.xH2O
Additionnal Information
Adenosine disodium triphosphate hydrate (ATP disodium) is the sodium salt form of adenosine triphosphate (ATP), a complex organic chemical that provides energy to drive many processes in living cells.,
Storage Conditions
3 years -20°C powder

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...
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