[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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![[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2728a17f475d4addba987a8d3bce6931.png "[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate")
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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CAS No:
106542-91-0
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Formula:
C16H26N3O15P3S
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Chemical Name:
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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Synonyms:
MT-Dutp;
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CAS No:
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[5-[(E)-3-(3-methylsulfanylpropanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Basic Attributes
625.37500
625.02974930
Computed Properties
Molecular Weight:625.4
XLogP3:-4.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:625.02974930
Monoisotopic Mass:625.02974930
Topological Polar Surface Area:293
Heavy Atom Count:38
Complexity:1110
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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What is [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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What is [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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