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Fialuridine

CAT: 0607-C3688-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3688-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
nucleoside analog with antiviral activity
CAS Number
69123-98-4
Product Name Alternative
1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione
Sequence
FIAU,Fluoroiodoarauracil,5-Iodo-2’-Fluoroarauracil,NSC 678514
Field of Research
Microbiology & Virology HSV
Purity
0.9902
Form
A crystalline solid
Solubility
insoluble in H2O; ≥11.24 mg/mL in EtOH; ≥115.8 mg/mL in DMSO
Smiles
OC[C@@H]1[C@@H](O)[C@H](F)[C@H](N2C=C(I)C(NC2=O)=O)O1
Molecular Formula
C9H10FIN2O5
Molecular Weight
372.1
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fialuridine

Fialuridine is under investigation in clinical trial NCT01337466 (Biodistribution and Dosimetry Evaluation of [124I]FIAU).

CAS Number69123-98-4
PubChem CID50313
IUPAC Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Molecular FormulaC9H10FIN2O5
Molecular Weight372.09
XLogP-0.9
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity418
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)I
InChI
InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1
InChIKey
IPVFGAYTKQKGBM-BYPJNBLXSA-N
Chemical Structure
2D Structure
2D structure of Fialuridine
CAS: 69123-98-4
CID: 50313
Formula: C9H10FIN2O5
MW: 372.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.09
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass371.96185
Monoisotopic Mass371.96185
Topological Polar Surface Area99.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity418
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