CAS 14985-44-5 | Adenosine, 8-bromo-2'-deoxy- | CAS Number 14985-44-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Bromides > 14985-44-5

14985-44-5 | Adenosine, 8-bromo-2'-deoxy-

CAS No: 14985-44-5 Catalog No: AG001M2V MDL No:MFCD01630970

Product Description

Catalog Number:

AG001M2V

Chemical Name:

Adenosine, 8-bromo-2'-deoxy-

CAS Number:

14985-44-5

Molecular Formula:

C10H12BrN5O3

Molecular Weight:

330.1380

MDL Number:

MFCD01630970

IUPAC Name:

(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

InChI:

InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1

InChI Key:

NJBIVXMQFIQOGE-KVQBGUIXSA-N

SMILES:

OC[C@H]1O[C@H](C[C@@H]1O)n1c(Br)nc2c1ncnc2N

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.142g/mol

Monoisotopic Mass:

329.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Mutational specificities of brominated DNA adducts catalyzed by human DNA polymerases.	Journal of molecular biology 20110311
Biophysical properties of quadruple helices of modified human telomeric DNA.	Biopolymers 20050205
One-electron attachment reaction of B- and Z-DNA modified by 8-bromo-2'-deoxyguanosine.	The Journal of organic chemistry 20040220
The photochemistry of 8-bromo-2'-deoxyadenosine. A direct entry to cyclopurine lesions.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20040101
Model studies of DNA C5' radicals. Selective generation and reactivity of 2'-deoxyadenosin-5'-yl radical.	Journal of the American Chemical Society 20030402
Convenient synthesis of 8-amino-2'-deoxyadenosine.	Nucleosides, nucleotides & nucleic acids 20030201
Enhancement of nucleoside cytotoxicity through nucleotide prodrugs.	Journal of medicinal chemistry 20020926