CAS 114849-58-0 | Adenosine, 2-chloro-2',3'-dideoxy- | CAS Number 114849-58-0

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114849-58-0 | Adenosine, 2-chloro-2',3'-dideoxy-

CAS No: 114849-58-0 Catalog No: AG000FCF MDL No:

Product Description

Catalog Number:

AG000FCF

Chemical Name:

Adenosine, 2-chloro-2',3'-dideoxy-

CAS Number:

114849-58-0

Molecular Formula:

C10H12ClN5O2

Molecular Weight:

269.6876

IUPAC Name:

[(2S,5R)-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol

InChI:

InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1

InChI Key:

FNLILOONPKMGST-NTSWFWBYSA-N

SMILES:

OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(Cl)nc2N

Properties

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.689g/mol

Monoisotopic Mass:

269.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation.	The Journal of biological chemistry 20031128
Exposure-disease continuum for 2-chloro-2'-deoxyadenosine, a prototype ocular teratogen. 3. Intervention with PK11195.	Birth defects research. Part A, Clinical and molecular teratology 20030201
Adenine and deazaadenine nucleoside and deoxynucleoside analogues: inhibition of viral replication of sheep MVV (in vitro model for HIV) and bovine BHV-1.	Bioorganic & medicinal chemistry 20020901
Lipophilic halogenated congeners of 2',3'-dideoxypurine nucleosides active against human immunodeficiency virus in vitro.	Proceedings of the National Academy of Sciences of the United States of America 19901201
Synthesis of the 2-chloro analogues of 3'-deoxyadenosine, 2',3'-dideoxyadenosine, and 2',3'-didehydro-2',3'-dideoxyadenosine as potential antiviral agents.	Journal of medicinal chemistry 19890501
Metabolism and anti-human immunodeficiency virus-1 activity of 2-halo-2',3'-dideoxyadenosine derivatives.	The Journal of biological chemistry 19880425