[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/adf2640efda34018a2c87ada7d223451.png "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
13400-10-7
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Formula:
C10H16N5O13P3
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
3'-phospho-ADP;3'-phosphoadenosine diphosphate;5'-diphosphoadenosine 3'-phosphate;5'-ppAp-3';adenosine 3'-phosphate 5'-diphosphate;3'-phosphate-adenosine-5'-diphosphate;5'-Diphosphoadenosine 3'-phosphate;13400-10-7;1afk;3'-Phospho-ADP;5'-Ppap-3';3'-Phosphoadenosine diphosphate;Adenosine 3'-phosphate 5'-diphosphate;adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate);SCHEMBL905456;DTXSID90928385;DB01842;9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate;Adenosine 3'-phosphoric acid 5'-diphosphoric acid;Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate)
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CAS No:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
507.18 g/mol
506.99574658 g/mol
Computed Properties
Molecular Weight:507.18
XLogP3:-5.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:506.99574658
Monoisotopic Mass:506.99574658
Topological Polar Surface Area:279
Heavy Atom Count:31
Complexity:794
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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