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Home > Fluorides > 119244-37-0
119244-37-0 | Adenosine, 4',5'-didehydro-5'-deoxy-5'-fluoro-, (4'Z)- (9CI)
CAS No: 119244-37-0 Catalog No: AG000IF9 MDL No:
Product Description
Catalog Number:
AG000IF9
Chemical Name:
Adenosine, 4',5'-didehydro-5'-deoxy-5'-fluoro-, (4'Z)- (9CI)
CAS Number:
119244-37-0
Molecular Formula:
C10H10FN5O3
Molecular Weight:
267.2165
IUPAC Name:
(2R,3R,4S,5Z)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
InChI:
InChI=1S/C10H10FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6-,7-,10-/m1/s1
InChI Key:
NAWIFPQLACUTSO-QCUWZOMOSA-N
SMILES:
F/C=C/1\O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
267.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.22g/mol
Monoisotopic Mass:
267.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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