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115044-76-3 | Adenosine, 2-bromo-3'-deoxy- (9CI)
CAS No: 115044-76-3 Catalog No: AG000FSF MDL No:
Product Description
Catalog Number:
AG000FSF
Chemical Name:
Adenosine, 2-bromo-3'-deoxy- (9CI)
CAS Number:
115044-76-3
Molecular Formula:
C10H12BrN5O3
Molecular Weight:
330.1380
IUPAC Name:
(2R,3R,5S)-2-(6-amino-2-bromopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C10H12BrN5O3/c11-10-14-7(12)6-8(15-10)16(3-13-6)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,9+/m0/s1
InChI Key:
MOFDAKHUBHRTST-OBXARNEKSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1nc(Br)nc2N)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
329.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.142g/mol
Monoisotopic Mass:
329.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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