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3'-Deoxy-3'-fluorocytidine

CAT: 0931-TNU0006-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0006-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123402-20-0
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
3'-Deoxy-3'-fluorocytidine is a nucleoside, fluoro-modified nucleoside.
Smiles
O[C@H]1[C@@H](O[C@H](CO)[C@H]1F)N2C(=O)N=C(N)C=C2
Molecular Formula
C9H12FN3O4
Molecular Weight
245.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Fluoro-3'-deoxycytidine
CAS Number123402-20-0
PubChem CID451603
IUPAC Name4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H12FN3O4
Molecular Weight245.21
XLogP-1.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity386
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)O
InChI
InChI=1S/C9H12FN3O4/c10-6-4(3-14)17-8(7(6)15)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
InChIKey
PKOBNLOZXOHYOP-XVFCMESISA-N
Chemical Structure
2D Structure
2D structure of 3'-Fluoro-3'-deoxycytidine
CAS: 123402-20-0
CID: 451603
Formula: C9H12FN3O4
MW: 245.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.21
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass245.08118403
Monoisotopic Mass245.08118403
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
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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