CAS 123402-20-0 | Cytidine, 3'-deoxy-3'-fluoro- | CAS Number 123402-20-0

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123402-20-0 | Cytidine, 3'-deoxy-3'-fluoro-

CAS No: 123402-20-0 Catalog No: AG000KJH MDL No:MFCD20134042

Product Description

Catalog Number:

AG000KJH

Chemical Name:

Cytidine, 3'-deoxy-3'-fluoro-

CAS Number:

123402-20-0

Molecular Formula:

C9H12FN3O4

Molecular Weight:

245.2077

MDL Number:

MFCD20134042

IUPAC Name:

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

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

InChI Key:

PKOBNLOZXOHYOP-XVFCMESISA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1ccc(nc1=O)N

Properties

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.21g/mol

Monoisotopic Mass:

245.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Synthesis and antiviral and cytostatic properties of 3'-deoxy-3'-fluoro- and 2'-azido-3'-fluoro-2',3'-dideoxy-D-ribofuranosides of natural heterocyclic bases.	Journal of medicinal chemistry 19910701
Synthesis and antiviral activity evaluation of 3'-fluoro-3'-deoxyribonucleosides: broad-spectrum antiviral activity of 3'-fluoro-3'-deoxyadenosine.	Antiviral research 19891001