[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid
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![[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0a2c19c9fdfb44a180d1dd749802e2eb.png "[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid")
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid
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CAS No:
120909-50-4
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Formula:
C13H19N5O10P2
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Chemical Name:
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid
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Synonyms:
fosfadecin;TAN 930;TAN-930;Fosfadecin;120909-50-4;Tan 930;DTXSID80923602;TAN-930;5'-Adenylic acid, monoanhydride with (3-methyloxiranyl)phosphonic acid, (2R-cis)-;9-[5-O-(Hydroxy{[hydroxy(3-methyloxiran-2-yl)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
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CAS No:
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid Basic Attributes
467.27 g/mol
467.06071582 g/mol
Computed Properties
Molecular Weight:467.27
XLogP3:-3.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:467.06071582
Monoisotopic Mass:467.06071582
Topological Polar Surface Area:225
Heavy Atom Count:30
Complexity:749
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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