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ATP

CAT: 0013-GTR19173474-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173474-01Size:50 mg
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Description
Adenosine triphosphate (ATP) serves as the primary energy currency within cells and also functions as an extracellular signaling molecule by activating purinergic receptors. It is widely used in research areas such as neurotransmission, immunology, and bone biology for both in vitro assays and in vivo studies.
CAS Number
56-65-5
Product Name Alternative
Adenosine triphosphate, Adenosine 5'-triphosphate, Ara-ATP, Atipi, EndogenousMetabolite, Endogenous Metabolite, Triphosphaden, Triphosphoric acid adenosine ester
Field of Research
Metabolism Research
Purity
98.00% (May vary between batches)
Solubility
H2O:118.8 mg/mL (234.24 mM) ; DMSO:1.67 mg/mL (3.29 mM)
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) [C@H]1O
Molecular Formula
C10H16N5O13P3
Molecular Weight
507.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-Atp

ATP is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a cofactor, a micronutrient, a nutraceutical and a fundamental metabolite. It is a purine ribonucleoside 5'-triphosphate and an adenosine 5'-phosphate. It is a conjugate acid of an ATP(3-).

CAS Number56-65-5
PubChem CID5957
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O13P3
Molecular Weight507.18
XLogP-5.7
Topological Polar Surface Area279
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity800
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
InChI
InChI=1S/C10H16N5O13P3/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)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 5'-Atp
CAS: 56-65-5
CID: 5957
Formula: C10H16N5O13P3
MW: 507.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.18
XLogP3-5.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass506.99574658
Monoisotopic Mass506.99574658
Topological Polar Surface Area279 Ų
Heavy Atom Count31
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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