CAS 122929-23-1 | Cytidine, 2',3'-dideoxy-2'-fluoro- (9CI) | CAS Number 122929-23-1

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122929-23-1 | Cytidine, 2',3'-dideoxy-2'-fluoro- (9CI)

CAS No: 122929-23-1 Catalog No: AG000JSL MDL No:

Product Description

Catalog Number:

AG000JSL

Chemical Name:

Cytidine, 2',3'-dideoxy-2'-fluoro- (9CI)

CAS Number:

122929-23-1

Molecular Formula:

C9H12FN3O3

Molecular Weight:

229.2083

IUPAC Name:

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

InChI:

InChI=1S/C9H12FN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6+,8+/m0/s1

InChI Key:

LTDCCBLBAQXNKP-SHYZEUOFSA-N

SMILES:

Nc1ccn(c(=O)n1)[C@@H]1O[C@@H](C[C@H]1F)CO

Properties

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.211g/mol

Monoisotopic Mass:

229.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9

Literature

Title	Journal
Synthesis and antiviral activity of monofluoro and difluoro analogues of pyrimidine deoxyribonucleosides against human immunodeficiency virus (HIV-1).	Journal of medicinal chemistry 19900801
Structure-activity relationships of fluorinated nucleoside analogs and their synergistic effect in combination with phosphonoformate against human immunodeficiency virus type 1.	Antimicrobial agents and chemotherapy 19891201