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Home > Encyclopedia > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate structure

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate 

structure
  • CAS No:

    29486-87-1

  • Formula:

    C20H25BrN6O11P2

  • Chemical Name:

    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate

  • Synonyms:

    3-((3-bromoacetylpyridinio)propyl)adenosine pyrophosphate;3-BPPAPP;3-Bppapp;3-((3-Bromoacetylpyridinio)propyl)adenosine pyrophosphate;5'-o-{[({3-[3-(bromoacetyl)pyridinium-1-yl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine;DTXSID00276723;29486-87-1;349099-89-4;Adenosine 5'-(trihydrogen diphosphate), mono(3-(3-(bromoacetyl)pyridino)propyl) ester, hydroxide, inner salt

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate Basic Attributes

667.3 g/mol

666.02399 g/mol

DTXSID00276723

Characteristics

245 Ų

Drug Information

3-((3-bromoacetylpyridinio)propyl)adenosine pyrophosphate

Computed Properties

Molecular Weight:667.3
XLogP3:-2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:13
Exact Mass:666.02399
Monoisotopic Mass:666.02399
Topological Polar Surface Area:245
Heavy Atom Count:40
Complexity:966
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[3-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate

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