[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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![[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3fbfecd567914a47a72d66e87cdf86ff.png "[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid")
[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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CAS No:
111634-67-4
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Formula:
C12H18BrN2O12P3
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Chemical Name:
[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
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Synonyms:
C-Bvd-utp; Carbocyclic bvdutp; Carbocyclic 5-(2-bromovinyl)-2'-deoxyuridine 5'-triphosphate;
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CAS No:
[(1R,2R,4R)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Basic Attributes
555.10300
553.92560
Computed Properties
Molecular Weight:555.10
XLogP3:-3.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:553.92560
Monoisotopic Mass:553.92560
Topological Polar Surface Area:220
Heavy Atom Count:30
Complexity:916
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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