CAS 139468-46-5 | Adenosine, methyl- | CAS Number 139468-46-5

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139468-46-5 | Adenosine, methyl-

CAS No: 139468-46-5 Catalog No: AG001B2B MDL No:

Product Description

Catalog Number:

AG001B2B

Chemical Name:

Adenosine, methyl-

CAS Number:

139468-46-5

Molecular Formula:

C11H15N5O4

Molecular Weight:

281.2679

IUPAC Name:

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol

InChI:

InChI=1S/C11H15N5O4/c1-11(8(19)7(18)5(2-17)20-11)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChI Key:

MXYRZDAGKTVQIL-IOSLPCCCSA-N

SMILES:

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

Properties

Complexity:

375

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.272g/mol

Monoisotopic Mass:

281.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

140A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Antitumor activity of C-methyl-beta-D-ribofuranosyladenine nucleoside ribonucleotide reductase inhibitors.	Journal of medicinal chemistry 20050728
Ribose-modified nucleosides as ligands for adenosine receptors: synthesis, conformational analysis, and biological evaluation of 1'-C-methyl adenosine analogues.	Journal of medicinal chemistry 20020314