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13276-42-1 | Inosine, 2-fluoro-
CAS No: 13276-42-1 Catalog No: AG00114P MDL No:
Product Description
Catalog Number:
AG00114P
Chemical Name:
Inosine, 2-fluoro-
CAS Number:
13276-42-1
Molecular Formula:
C10H11FN4O5
Molecular Weight:
286.2165
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one
InChI:
InChI=1S/C10H11FN4O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,13,14,19)/t3-,5-,6-,9-/m1/s1
InChI Key:
RHLSRGWIGPHHJW-UUOKFMHZSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
286.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.219g/mol
Monoisotopic Mass:
286.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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