S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
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![S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b887ae4d3644b12bd7d37680787a08f.png "S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate")
S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
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CAS No:
202478-77-1
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Formula:
C28H46N5O9PS2
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Chemical Name:
S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
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Synonyms:
tBuSATB-AZT;202478-77-1;5'-Thymidylic acid, 3'-azido-3'-deoxy-, bis(4-((2,2-dimethyl-1-oxopropyl)thio)butyl) ester;5'-Thymidylic acid, 3'-azido-3'-deoxy-, bis[4-[(2,2-dimethyl-1-oxopropyl)thio]butyl] ester;DTXSID40174092;A814442;2,2-dimethylpropanethioic acid S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-[4-[(2,2-dimethyl-1-oxopropyl)thio]butoxy]phosphoryl]oxybutyl] ester;S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate;S-[4-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
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CAS No:
S-[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate Basic Attributes
691.8 g/mol
691.24745741 g/mol
DTXSID40174092
Computed Properties
Molecular Weight:691.8
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:21
Exact Mass:691.24745741
Monoisotopic Mass:691.24745741
Topological Polar Surface Area:203
Heavy Atom Count:45
Complexity:1160
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
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S-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] 2,2-dimethylpropanethioate
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S-phenylsulfanyl 2,2-dimethylpropanethioate
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S-[4-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[4-(2,2-dimethylpropanoylsulfanyl)butoxy]phosphoryl]oxybutyl] 2,2-dimethylpropanethioate
202478-79-3
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S-[2-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Formula
165458-71-9
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S-Methyl 2,2-dimethylpropanethioate Formula
42075-46-7
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