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Home > Fluorides > 124775-29-7
124775-29-7 | 9H-Purine, 9-(3-deoxy-3-fluoro-β-D-ribofuranosyl)-
CAS No: 124775-29-7 Catalog No: AG000MQE MDL No:
Product Description
Catalog Number:
AG000MQE
Chemical Name:
9H-Purine, 9-(3-deoxy-3-fluoro-β-D-ribofuranosyl)-
CAS Number:
124775-29-7
Molecular Formula:
C10H11FN4O3
Molecular Weight:
254.2177
IUPAC Name:
(2R,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-purin-9-yloxolan-3-ol
InChI:
InChI=1S/C10H11FN4O3/c11-7-6(2-16)18-10(8(7)17)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7-,8-,10-/m1/s1
InChI Key:
KIAXDTYQUWFQGP-FDDDBJFASA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1ncnc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.221g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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