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Home > Encyclopedia > [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure

[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 

structure
  • CAS No:

    49564-60-5

  • Formula:

    C10H15ClN5O13P3

  • Chemical Name:

    [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

  • Synonyms:

    2-chloro-ATP;2-Chloro-ATP;2-Chloroadenosine-5-triphosphate;49564-60-5;2-Chloro-Adenosinetriphosphate;CHEMBL1368696;[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-ClATP;GTPL1716;SCHEMBL2027164;DTXSID50964269;2-chloroadenosine-5'-triphosphate;BDBM50422385;Q27071884;(((2R,3S,4R,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid;[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;2-chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes

541.62 g/mol

540.9567742 g/mol

Characteristics

279 Ų

Drug Information

2-chloro-ATP

Computed Properties

Molecular Weight:541.62
XLogP3:-4.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:540.9567742
Monoisotopic Mass:540.9567742
Topological Polar Surface Area:279
Heavy Atom Count:32
Complexity:836
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

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