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1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile

1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile structure

CAS No:
52995-55-8
Formula:
C13H14N6O4
Chemical Name:
1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile
Synonyms:
Thymidine, 5'-(4-cyano-1H-1,2,3-triazol-1-yl)-5'-deoxy-;52995-55-8;SCHEMBL2056892;5'-(4-Cyano-1H-1,2,3-triazol-1-yl)-5'-deoxythymidine;DTXSID80201038;1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile

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1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile Basic Attributes

Molecular Weight：

318.29 g/mol

Exact Mass：

318.10765295 g/mol

DSSTox ID：

DTXSID80201038

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:318.29
XLogP3:-1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:318.10765295
Monoisotopic Mass:318.10765295
Topological Polar Surface Area:133
Heavy Atom Count:23
Complexity:599
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazole-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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