[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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![[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/52079868d3de4c2c965cd2f088769c77.png "[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate")
[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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CAS No:
4360-06-9
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Formula:
C10H16N6O9P2
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Chemical Name:
[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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Synonyms:
3AN;3'-DEOXY 3'-AMINO ADENOSINE-5'-DIPHOSPHATE;4360-06-9;1hiy;3'-Amino-3'-deoxy-ADP;SCHEMBL4309008;DTXSID80332210;DB04366;[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;3'-amino-3'-deoxyadenosine 5'-(trihydrogen diphosphate)
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CAS No:
[(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Basic Attributes
426.22 g/mol
426.04540010 g/mol
DTXSID80332210
Computed Properties
Molecular Weight:426.22
XLogP3:-7.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:426.04540010
Monoisotopic Mass:426.04540010
Topological Polar Surface Area:238
Heavy Atom Count:27
Complexity:638
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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