CAS 892-48-8 | 5'-Chloro-5'-deoxyadenosine | CAS Number 892-48-8

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892-48-8 | 5'-Chloro-5'-deoxyadenosine

CAS No: 892-48-8 Catalog No: AG00425T MDL No:MFCD00049038

Product Description

Catalog Number:

AG00425T

Chemical Name:

5'-Chloro-5'-deoxyadenosine

CAS Number:

892-48-8

Molecular Formula:

C10H12ClN5O3

Molecular Weight:

285.6870

MDL Number:

MFCD00049038

IUPAC Name:

(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol

InChI:

InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1

InChI Key:

IYSNPOMTKFZDHZ-KQYNXXCUSA-N

SMILES:

ClC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.688g/mol

Monoisotopic Mass:

285.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
S-Adenosylhomocysteine hydrolase of the protozoan parasite Trichomonas vaginalis: potent inhibitory activity of 9-(2-deoxy-2-fluoro-β,D-arabinofuranosyl)adenine.	Bioorganic & medicinal chemistry letters 20120615
Biosynthesis of the salinosporamide A polyketide synthase substrate chloroethylmalonyl-coenzyme A from S-adenosyl-L-methionine.	Proceedings of the National Academy of Sciences of the United States of America 20090728
Activation and inhibition of DNA methyltransferases by S-adenosyl-L-homocysteine analogues.	Bioorganic & medicinal chemistry 20080301
Discovery and characterization of a marine bacterial SAM-dependent chlorinase.	Nature chemical biology 20080101