[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b6c5a102ee5c4a7b862fc435e35e49c3.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
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CAS No:
136439-85-5
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Formula:
C11H17N5O12P2S
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
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Synonyms:
Adenosine 3'-phosphate 5'-methylenephosphosulfate; 3'-Adenylic acid,5'-(hydrogen(sulfomethyl)phosphonate); 3'-Mepaps;
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CAS No:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid Basic Attributes
505.29200
505.00696616
DTXSID00159789
Computed Properties
Molecular Weight:505.29
XLogP3:-5.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:505.00696616
Monoisotopic Mass:505.00696616
Topological Polar Surface Area:275
Heavy Atom Count:31
Complexity:852
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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