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146-76-9 | Adenosine, 2-bromo-
CAS No: 146-76-9 Catalog No: AG001DM7 MDL No:
Product Description
Catalog Number:
AG001DM7
Chemical Name:
Adenosine, 2-bromo-
CAS Number:
146-76-9
Molecular Formula:
C10H12BrN5O4
Molecular Weight:
346.1374
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-2-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C10H12BrN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChI Key:
PGHYIISMDPKFKH-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Br)nc2N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
345.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.141g/mol
Monoisotopic Mass:
345.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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