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89419-17-0 | 1,3-Propanediol, 2-[(6-amino-2-fluoro-9H-purin-9-yl)methoxy]-
CAS No: 89419-17-0 Catalog No: AG0043PF MDL No:
Product Description
Catalog Number:
AG0043PF
Chemical Name:
1,3-Propanediol, 2-[(6-amino-2-fluoro-9H-purin-9-yl)methoxy]-
CAS Number:
89419-17-0
Molecular Formula:
C9H12FN5O3
Molecular Weight:
257.2217
IUPAC Name:
2-[(6-amino-2-fluoropurin-9-yl)methoxy]propane-1,3-diol
InChI:
InChI=1S/C9H12FN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-18-5(1-16)2-17/h3,5,16-17H,1-2,4H2,(H2,11,13,14)
InChI Key:
DQDYXLHDZDEMNR-UHFFFAOYSA-N
SMILES:
OCC(OCn1cnc2c1nc(F)nc2N)CO
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.225g/mol
Monoisotopic Mass:
257.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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