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5â€2-Deoxy-5-fluorocytidine

CAT: 1459-CS-O-03395Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-03395Size:1 Each
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Description
5â€2-Deoxy-5-fluorocytidine is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Capecitabine. The product is supplied by Clearsynth under CAT No. CS-O-03395. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Impurity in commercial preparations of Capecitabine
CAS Number
66335-38-4
Synonyms
5â€2-Deoxy-5-fluorocytidine
Molecular Formula
C 9 H 12 FN 3 O 4
Molecular Weight
245.21
Additionnal Information
5′-Deoxy-5-fluorocytidine is supplied with detailed characterization data compliant with regulatory guideline. 5′-Deoxy-5-fluorocytidine can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Capecitabine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Impurity in commercial preparations of Capecitabine
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

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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