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2-Fluorothymidine

CAT: 1410-M33576-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M33576-03Size:10 mg
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Description
2'-Fluorothymidine (2'-Deoxy-2'-fluoro-5-Methyluridine) belongs to the thymidine (TdR) and methyluridine isozymes and is a highly selective substrate for thymidine kinase type 2 (TK2) .hCYP3A4 Fluorogenic substrate 2 is a chelator of thymidine and methyluridine.
CAS Number
122799-38-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
260.22
Molecular Formula
C10H13FN2O5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2'-Fluorothymidine

structure given in first source

CAS Number122799-38-6
PubChem CID159498
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC10H13FN2O5
Molecular Weight260.22
XLogP-0.9
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity413
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1
InChIKey
GBBJCSTXCAQSSJ-JXOAFFINSA-N
Chemical Structure
2D Structure
2D structure of 2'-Fluorothymidine
CAS: 122799-38-6
CID: 159498
Formula: C10H13FN2O5
MW: 260.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.22
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass260.08084968
Monoisotopic Mass260.08084968
Topological Polar Surface Area99.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity413
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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