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ATP

CAT: 0127-BUP16073-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16073-02Size:100 mg
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CAS Number
56-65-5
Synonyms
Triphosphoric acid adenosine ester, Triphosphaden, Atipi, Ara-ATP, Adenosine triphosphate
Purity
=98%
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

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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CatalogName
BUP07331-01(S) -ATPO

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