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5'-TMPS

CAT: 0931-T89048-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T89048-01Size:25 mg
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CAS Number
15548-51-3
Bioactivity
5'-TMPS (Thymidine-5'-O-monophosphorothioate) serves as a selective partial agonist for P2Y6R while also acting as an antagonist for P2Y14R. Additionally, 5'-TMPS acts as a positive regulator of angiogenesis, promoting the formation of new blood vessels.
Smiles
O=C1N([C@@H]2O[C@H](COP(=O)(O)S)[C@@H](O)C2)C=C(C)C(=O)N1
Molecular Formula
C10H15N2O7PS
Molecular Weight
338.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thymidine-5'-thiophosphate
CAS Number15548-51-3
PubChem CID10019998
IUPAC Name1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC10H15N2O7PS
Molecular Weight338.28
XLogP-1.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity533
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O
InChI
InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1
InChIKey
OJRKJKYGUAALCJ-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of Thymidine-5'-thiophosphate
CAS: 15548-51-3
CID: 10019998
Formula: C10H15N2O7PS
MW: 338.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.28
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass338.03375899
Monoisotopic Mass338.03375899
Topological Polar Surface Area161 Ų
Heavy Atom Count21
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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