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122970-25-6 | Adenosine, 2-cyano-2',3'-dideoxy- (9CI)
CAS No: 122970-25-6 Catalog No: AG000JUN MDL No:
Product Description
Catalog Number:
AG000JUN
Chemical Name:
Adenosine, 2-cyano-2',3'-dideoxy- (9CI)
CAS Number:
122970-25-6
Molecular Formula:
C11H12N6O2
Molecular Weight:
260.2520
IUPAC Name:
6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonitrile
InChI:
InChI=1S/C11H12N6O2/c12-3-7-15-10(13)9-11(16-7)17(5-14-9)8-2-1-6(4-18)19-8/h5-6,8,18H,1-2,4H2,(H2,13,15,16)/t6-,8+/m0/s1
InChI Key:
AJLNSZXRKWSDGC-POYBYMJQSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(C#N)nc2N
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.257g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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