1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid
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![1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4a4775dd39734e8ebc382d060eb29db4.png "1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid")
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid
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CAS No:
127479-70-3
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Formula:
C14H15N5O8
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Chemical Name:
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid
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Synonyms:
3'-(4,5-bisCarboxytriazole)dT;127479-70-3;Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-;3'-(4,5-Biscarboxy-1,2,3-triazol-1-yl)-3'-deoxythymidine;DTXSID40155583;1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid;1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4,5-dicarboxylic acid
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CAS No:
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid Basic Attributes
381.30 g/mol
381.09206245 g/mol
DTXSID40155583
Computed Properties
Molecular Weight:381.30
XLogP3:-1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:381.09206245
Monoisotopic Mass:381.09206245
Topological Polar Surface Area:184
Heavy Atom Count:27
Complexity:712
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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