[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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![[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/444a3c2f7303435cacd0f894f6c1762c.png "[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate")
[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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CAS No:
83133-65-7
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Formula:
C11H19N2O14P3
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Chemical Name:
[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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Synonyms:
83133-65-7;O(2)-Methylthymidine triphosphate;DTXSID801003150;4(1H)-Pyrimidinone, 1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-2-methoxy-5-methyl-;1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-methoxy-5-methylpyrimidin-4(1H)-one
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CAS No:
[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Basic Attributes
496.19 g/mol
496.00491428 g/mol
Computed Properties
Molecular Weight:496.19
XLogP3:-4.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:496.00491428
Monoisotopic Mass:496.00491428
Topological Polar Surface Area:231
Heavy Atom Count:30
Complexity:882
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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