CAS 124743-31-3 | Cytidine, 5-chloro-2',3'-dideoxy- (9CI) | CAS Number 124743-31-3

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124743-31-3 | Cytidine, 5-chloro-2',3'-dideoxy- (9CI)

CAS No: 124743-31-3 Catalog No: AG000MOW MDL No:

Product Description

Catalog Number:

AG000MOW

Chemical Name:

Cytidine, 5-chloro-2',3'-dideoxy- (9CI)

CAS Number:

124743-31-3

Molecular Formula:

C9H12ClN3O3

Molecular Weight:

245.6629

IUPAC Name:

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

InChI:

InChI=1S/C9H12ClN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1

InChI Key:

SWZJKMLDTHNVKM-CAHLUQPWSA-N

SMILES:

Nc1nc(=O)n(cc1Cl)[C@H]1CC[C@H](O1)CO

Properties

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.663g/mol

Monoisotopic Mass:

245.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Use of a standardized cell culture assay to assess activities of nucleoside analogs against hepatitis B virus replication.	Antiviral research 19920701
Synthesis and anti-HIV evaluation of 2',3'-dideoxyribo-5-chloropyrimidine analogues: reduced toxicity of 5-chlorinated 2',3'-dideoxynucleosides.	Journal of medicinal chemistry 19900601
2',3'-didehydro-2',3'-dideoxy-5-chlorocytidine is a selective anti-retrovirus agent.	Biochemical and biophysical research communications 19891115