(2S,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
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(2S,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
structure -
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CAS No:
117174-35-3
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Formula:
C11H13N3O5
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Chemical Name:
(2S,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
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Synonyms:
1-(3-C-Cyano-3-deoxy-B-D-xylo-pentofuranosyl)thymine;117174-35-3;Thymine deriv.;DTXSID50151713;2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-beta-D-xylofuranosyl)-5-methyl-1-(3-C-Cyano-3-deoxy-beta-D-xylo-pentofuranosyl)thymine;(2S,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-carbonitrile;2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-b-D-xylofuranosyl)-5-methyl-1-(3-C-Cyano-3-deoxy-B-D-xylo-pentofuranosyl)thymine
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CAS No:
(2S,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile Basic Attributes
267.24 g/mol
267.08552052 g/mol
DTXSID50151713
Computed Properties
Molecular Weight:267.24
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:267.08552052
Monoisotopic Mass:267.08552052
Topological Polar Surface Area:123
Heavy Atom Count:19
Complexity:494
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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