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2',3'-Dideoxy-3'-fluorouridine

CAT: 0926-ND04228-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-ND04228-01Size:5 mg
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CAS Number
41107-56-6
Synonyms
1- (2,3-Dideoxy-3-fluoro-b-D-ribofuranosyl) uracil;2',3'-Dideoxy-3'-fluoro-D-uridine;3'-Fluoro-2',3'-dideoxyuridine
MDL Number
MFCD00192015
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C=CC (=O) NC2=O) CO) F
Molecular Formula
C9H11FN2O4
Molecular Weight
230.2 g/mol
Controlled
No

Chemical Information

2',3'-Dideoxy-3'-fluorouridine
CAS Number41107-56-6
PubChem CID162450
IUPAC Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC9H11FN2O4
Molecular Weight230.19
XLogP-0.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity346
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)F
InChI
InChI=1S/C9H11FN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6+,8+/m0/s1
InChIKey
BKIUEHLYJFLWPK-SHYZEUOFSA-N
Chemical Structure
2D Structure
2D structure of 2',3'-Dideoxy-3'-fluorouridine
CAS: 41107-56-6
CID: 162450
Formula: C9H11FN2O4
MW: 230.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight230.19
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass230.07028500
Monoisotopic Mass230.07028500
Topological Polar Surface Area78.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity346
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