1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one
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![1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/498df00fdfc8499a975ec950c6d66d00.png "1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one")
1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one
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CAS No:
61734-36-9
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Formula:
C9H12N3O6PS
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Chemical Name:
1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one
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Synonyms:
2'-thio-2'-deoxycytidine 2',3'-phosphorothioate;61734-36-9;2'-Thio-2'-deoxycytidine 2',3'-phosphorothioate;DTXSID10977315;Cytidine, 2'-thio-, cyclic 2',3'-(hydrogen phosphate);2-Hydroxy-4-(2-hydroxy-4-iminopyrimidin-1(4H)-yl)-6-(hydroxymethyl)tetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]oxathiaphosphol-2-one
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CAS No:
1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]oxathiaphosphol-4-yl]-4-aminopyrimidin-2-one Basic Attributes
321.25 g/mol
321.01844328 g/mol
Computed Properties
Molecular Weight:321.25
XLogP3:-2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:321.01844328
Monoisotopic Mass:321.01844328
Topological Polar Surface Area:160
Heavy Atom Count:20
Complexity:554
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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