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5'-UMPS

CAT: 0013-GTR19236467-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236467-02Size:50 mg
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Description
5'-UMPS is a P2Y14 receptor agonist that exhibits a mild proliferative effect on HeLa cells in vitro. This small molecule is a valuable research tool for studying purinergic signaling in cancer biology and immune-inflammatory processes, both in cellular and animal models.
CAS Number
15548-52-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O[C@H]1[C@@H] (O[C@H] (COP (=O) (O) S) [C@H]1O) N2C (=O) NC (=O) C=C2
Molecular Formula
C9H13N2O8PS
Molecular Weight
340.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Uridine-5'-phosphorothioate
CAS Number15548-52-4
PubChem CID10404968
IUPAC Name1-[(2R,3R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC9H13N2O8PS
Molecular Weight340.25
XLogP-1.9
Topological Polar Surface Area181
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity522
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O
InChI
InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
InChIKey
NSEBKRRODBXALJ-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of Uridine-5'-phosphorothioate
CAS: 15548-52-4
CID: 10404968
Formula: C9H13N2O8PS
MW: 340.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.25
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass340.01302355
Monoisotopic Mass340.01302355
Topological Polar Surface Area181 Ų
Heavy Atom Count21
Formal Charge0
Complexity522
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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