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4'-Thiouridine

CAT: 0931-TNU0042-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0042-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6741-73-7
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
4'-Thiouridine is a Thio-nucleoside.
Smiles
OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Molecular Formula
C9H12N2O5S
Molecular Weight
260.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4'-Thiouridine
CAS Number6741-73-7
PubChem CID11219149
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC9H12N2O5S
Molecular Weight260.27
XLogP-1.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity374
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)O)O
InChI
InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey
MUSPKJVFRAYWAR-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of 4'-Thiouridine
CAS: 6741-73-7
CID: 11219149
Formula: C9H12N2O5S
MW: 260.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.27
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass260.04669266
Monoisotopic Mass260.04669266
Topological Polar Surface Area135 Ų
Heavy Atom Count17
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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