[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
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![[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/98e7e92b1c0d448db2a6c1c573669439.png "[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid")
[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
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CAS No:
10209-67-3
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Formula:
C20H27N10O16P3
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Chemical Name:
[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
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Synonyms:
adenosine diphosphate adenosine monophosphate;ppApA;[1,2-bis[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;Adenosine 5"-(trihydrogen diphosphate), adenylyl-(5"-3")-
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CAS No:
[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid Basic Attributes
756.411
756.082
Computed Properties
Molecular Weight:756.4
XLogP3:-7.3
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:11
Exact Mass:756.08193580
Monoisotopic Mass:756.08193580
Topological Polar Surface Area:398
Heavy Atom Count:49
Complexity:1340
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[[1,2-bis[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-y l]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
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