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5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione structure

CAS No:
134700-06-4
Formula:
C11H12N2O4S
Chemical Name:
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Synonyms:
2'-Deoxy-5-ethynyl-4'-thiouridine;134700-06-4;SCHEMBL5598816;5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione;uridine, 2'-deoxy-5-ethynyl-4'-thio-;1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-ethynyluracil;5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione

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5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione Basic Attributes

Molecular Weight：

268.29 g/mol

Exact Mass：

268.05177804 g/mol

Characteristics

PSA：

115 Å²

XLogP3：

-1.1248

Computed Properties

Molecular Weight:268.29
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:268.05177804
Monoisotopic Mass:268.05177804
Topological Polar Surface Area:115
Heavy Atom Count:18
Complexity:467
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

134700-25-7

134700-06-4

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Guide of 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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