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5'-Deoxy-5-fluorocytidine

CAT: 1410-M21310-01Size: 1 EachDry Ice: NoHazardous: No
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Description
5'-Deoxy-5-fluorocytidine is an intermediate metabolite of the DNA synthesis inhibitor capecitabine.
CAS Number
66335-38-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
245.21
Molecular Formula
C9H12FN3O4
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

5'-Deoxy-5-fluorocytidine

5'-Deoxy-5-fluorocytidine is a N-glycosyl compound.

CAS Number66335-38-4
PubChem CID10037499
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
Molecular FormulaC9H12FN3O4
Molecular Weight245.21
XLogP-1.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity411
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O
InChI
InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1
InChIKey
YSNABXSEHNLERR-ZIYNGMLESA-N
Chemical Structure
2D Structure
2D structure of 5'-Deoxy-5-fluorocytidine
CAS: 66335-38-4
CID: 10037499
Formula: C9H12FN3O4
MW: 245.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.21
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass245.08118403
Monoisotopic Mass245.08118403
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity411
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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