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5-Difluoromethyluridine

CAT: 0931-TNU0305-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0305-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110483-84-6
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others
Bioactivity
Nucleoside Derivatives - 5-Modified pyrimidine nucleosides; Fluoro-modified nucleosides
Smiles
O[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=C(C(F)F)C(=O)NC2=O
Molecular Formula
C10H12F2N2O6
Molecular Weight
294.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Difluoromethyluridine
CAS Number110483-84-6
PubChem CID54343230
IUPAC Name5-(difluoromethyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC10H12F2N2O6
Molecular Weight294.21
XLogP-1.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity457
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(F)F
InChI
InChI=1S/C10H12F2N2O6/c11-7(12)3-1-14(10(19)13-8(3)18)9-6(17)5(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5-,6-,9-/m1/s1
InChIKey
UALMIHJPIBPRGR-MWKIOEHESA-N
Chemical Structure
2D Structure
2D structure of 5-Difluoromethyluridine
CAS: 110483-84-6
CID: 54343230
Formula: C10H12F2N2O6
MW: 294.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.21
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass294.06634243
Monoisotopic Mass294.06634243
Topological Polar Surface Area119 Ų
Heavy Atom Count20
Formal Charge0
Complexity457
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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