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2',3'-Dideoxy-5-fluorocytidine

CAT: 0931-TNU0263-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0263-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107036-62-4
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - 2',3'-Dideoxy-nucleoside; Fluoro-modified nucleoside; Drugs and Inhibitors; HIV-1 inhibitors
Smiles
O=C1N([C@@H]2O[C@H](CO)CC2)C=C(F)C(N)=N1
Molecular Formula
C9H12FN3O3
Molecular Weight
229.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Fluoro-2',3'-dideoxycytidine

a reverse-transcriptase inhibitor

CAS Number107036-62-4
PubChem CID451380
IUPAC Name4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H12FN3O3
Molecular Weight229.21
XLogP-1.1
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity369
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChIKey
QBEIABZPRBJOFU-CAHLUQPWSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2',3'-dideoxycytidine
CAS: 107036-62-4
CID: 451380
Formula: C9H12FN3O3
MW: 229.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.21
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.08626942
Monoisotopic Mass229.08626942
Topological Polar Surface Area88.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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