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Home > Fluorides > 144089-96-3
144089-96-3 | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-
CAS No: 144089-96-3 Catalog No: AG001IWL MDL No:
Product Description
Catalog Number:
AG001IWL
Chemical Name:
Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-
CAS Number:
144089-96-3
Molecular Formula:
C35H36FN5O7
Molecular Weight:
657.6880
IUPAC Name:
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
InChI:
InChI=1S/C35H36FN5O7/c1-20(2)31(43)39-34-38-30-28(32(44)40-34)37-19-41(30)33-27(36)29(42)26(48-33)18-47-35(21-8-6-5-7-9-21,22-10-14-24(45-3)15-11-22)23-12-16-25(46-4)17-13-23/h5-17,19-20,26-27,29,33,42H,18H2,1-4H3,(H2,38,39,40,43,44)/t26-,27-,29-,33-/m1/s1
InChI Key:
QQQXVSXVBFQISZ-UNVYQVKTSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
657.26g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
657.699g/mol
Monoisotopic Mass:
657.26g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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