1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
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![1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7650797a29054a2ab0585755a894779e.png "1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione")
1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
structure -
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CAS No:
141684-46-0
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Formula:
C12H15N3O8S
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Chemical Name:
1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
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Synonyms:
141684-46-0;1-[(1R,3R,4R)-6-amino-4-hydroxy-1-(hydroxymethyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-pyrimidine-2,4-dione;T TSAO deriv.;XyloT TSAO deriv.;DTXSID20931165;(1-(beta-D-Xylofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole2,2-dioxide);3'-Spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)ribofuranosylthymine;[1-(.beta.-D-Xylofuranosyl)thymine]-3'-spiro-5-[4-amino-1,2-oxathiole2,2-dioxide];4-Amino-9-hydroxy-6-(hydroxymethyl)-8-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione
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CAS No:
1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione Basic Attributes
361.33 g/mol
361.05798562 g/mol
Computed Properties
Molecular Weight:361.33
XLogP3:-3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:361.05798562
Monoisotopic Mass:361.05798562
Topological Polar Surface Area:177
Heavy Atom Count:24
Complexity:770
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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