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Home > Fluorides > 144640-76-6
144640-76-6 | Inosine, 2'-deoxy-2-fluoro-6-O-(phenylmethyl)- (9CI)
CAS No: 144640-76-6 Catalog No: AG001JX4 MDL No:
Product Description
Catalog Number:
AG001JX4
Chemical Name:
Inosine, 2'-deoxy-2-fluoro-6-O-(phenylmethyl)- (9CI)
CAS Number:
144640-76-6
Molecular Formula:
C17H17FN4O4
Molecular Weight:
360.3397
IUPAC Name:
(2R,3S,5R)-5-(2-fluoro-6-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C17H17FN4O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2/t11-,12+,13+/m0/s1
InChI Key:
LANALGLGMFDWIU-YNEHKIRRSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(F)nc2OCc1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
360.123g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.345g/mol
Monoisotopic Mass:
360.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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