[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ef9700d00f0e4405a1eb1fd3d4eaba76.png "[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
131673-54-6
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Formula:
C14H22N5O13P3
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Chemical Name:
[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
3'-DiMeTriazol-dTTP;Thymidine 5'-(tetrahydrogen triphosphate), 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-;131673-54-6;3'-Deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)thymidine-5'-triphosphate;DTXSID60157180;[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;3'-(4,5-Dimethyl-1H-1,2,3-triazol-1-yl)-3'-deoxythymidine 5'-triphosphoric acid;[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
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CAS No:
[[(2S,3S,5R)-3-(4,5-dimethyltriazol-1-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
561.27 g/mol
561.04269677 g/mol
DTXSID60157180
Computed Properties
Molecular Weight:561.27
XLogP3:-3.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:561.04269677
Monoisotopic Mass:561.04269677
Topological Polar Surface Area:249
Heavy Atom Count:35
Complexity:1040
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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