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115941-55-4 | Adenosine, 2'-bromo-2',3'-dideoxy- (9CI)
CAS No: 115941-55-4 Catalog No: AG000H4V MDL No:
Product Description
Catalog Number:
AG000H4V
Chemical Name:
Adenosine, 2'-bromo-2',3'-dideoxy- (9CI)
CAS Number:
115941-55-4
Molecular Formula:
C10H12BrN5O2
Molecular Weight:
314.1386
IUPAC Name:
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-bromooxolan-2-yl]methanol
InChI:
InChI=1S/C10H12BrN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChI Key:
FPZFSLXDWDTIOO-BAJZRUMYSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)Br
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
313.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.143g/mol
Monoisotopic Mass:
313.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV activity of different sugar-modified pyrimidine and purine nucleosides. | Journal of medicinal chemistry 19881001 |
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