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Home > Fluorides > 122970-33-6
122970-33-6 | Adenosine, 2',3'-dideoxy-2-(trifluoromethyl)- (9CI)
CAS No: 122970-33-6 Catalog No: AG000JUK MDL No:
Product Description
Catalog Number:
AG000JUK
Chemical Name:
Adenosine, 2',3'-dideoxy-2-(trifluoromethyl)- (9CI)
CAS Number:
122970-33-6
Molecular Formula:
C11H12F3N5O2
Molecular Weight:
303.2405
IUPAC Name:
[(2S,5R)-5-[6-amino-2-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
InChI:
InChI=1S/C11H12F3N5O2/c12-11(13,14)10-17-8(15)7-9(18-10)19(4-16-7)6-2-1-5(3-20)21-6/h4-6,20H,1-3H2,(H2,15,17,18)/t5-,6+/m0/s1
InChI Key:
HFTHCPWQUGSNNL-NTSWFWBYSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(nc2N)C(F)(F)F
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
303.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.245g/mol
Monoisotopic Mass:
303.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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