Name: Name:2'-DEOXY-2'-FLUORO-5-IODOCYTIDINE
Brand: Angene
SKU: AG0057XN
Rating: 90 (10 reviews)

2'-DEOXY-2'-FLUORO-5-IODOCYTIDINE

CAS No.:

80791-93-1

Catalog Number:

AG0057XN

Molecular Formula:

C9H11FIN3O4

Molecular Weight:

371.1042

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Product Description

Catalog Number:

AG0057XN

Chemical Name:

2'-DEOXY-2'-FLUORO-5-IODOCYTIDINE

CAS Number:

80791-93-1

Molecular Formula:

C9H11FIN3O4

Molecular Weight:

371.1042

MDL Number:

MFCD10566672

IUPAC Name:

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

InChI:

InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5-,6-,8-/m1/s1

InChI Key:

GIMSJJHKKXRFGV-UAKXSSHOSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1cc(I)c(nc1=O)N

Properties

Complexity:

430

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

370.978g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.107g/mol

Monoisotopic Mass:

370.978g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
Synthesis and anti-viral activity of a series of d- and l-2'-deoxy-2'-fluororibonucleosides in the subgenomic HCV replicon system.	Bioorganic & medicinal chemistry 20050301
2'-Fluorinated arabinonucleosides of 5-(2-haloalkyl)uracil: synthesis and antiviral activity.	Journal of medicinal chemistry 19870701
Nucleosides. 129. Synthesis of antiviral nucleosides: 5-alkenyl-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracils.	Journal of medicinal chemistry 19840101
Nucleosides. 123. Synthesis of antiviral nucleosides: 5-substituted 1-(2-deoxy-2-halogeno-beta-D-arabinofuranosyl)cytosines and -uracils. Some structure-activity relationships.	Journal of medicinal chemistry 19830201