[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
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![[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c7da369363f0445dbbf1b90db8001f1e.png "[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate")
[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
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CAS No:
13276-55-6
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Formula:
C18H21N5O5S2
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Chemical Name:
[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
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Synonyms:
13276-55-6;NSC101158;DTXSID40927803;NSC-101158;9-[3-S-Benzyl-2-O-(methanesulfonyl)-3-thiopentofuranosyl]-9H-purin-6-amine
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CAS No:
[2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate Basic Attributes
451.5 g/mol
451.09841113 g/mol
101158
Computed Properties
Molecular Weight:451.5
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:451.09841113
Monoisotopic Mass:451.09841113
Topological Polar Surface Area:176
Heavy Atom Count:30
Complexity:674
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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