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23205-67-6 | Adenosine, 8-fluoro-
CAS No: 23205-67-6 Catalog No: AG002MIJ MDL No:
Product Description
Catalog Number:
AG002MIJ
Chemical Name:
Adenosine, 8-fluoro-
CAS Number:
23205-67-6
Molecular Formula:
C10H12FN5O4
Molecular Weight:
285.2318
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C10H12FN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
InChI Key:
MKDZZAHOSKFCEJ-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(F)nc2c1ncnc2N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
285.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
285.235g/mol
Monoisotopic Mass:
285.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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