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2'-F-iBu-G

CAT: 0127-PC111302-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC111302-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80681-25-0
Purity
98%
Smiles
O[C@H]1[C@@H](F)[C@H](N2C(N=C(NC(C(C)C)=O)NC3=O)=C3N=C2)O[C@@H]1CO

Chemical Information

N2-Isobutyryl-2'-fluoro-2'-deoxyguanosine
CAS Number80681-25-0
PubChem CID135742141
IUPAC NameN-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
Molecular FormulaC14H18FN5O5
Molecular Weight355.32
XLogP0.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity588
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C14H18FN5O5/c1-5(2)11(23)18-14-17-10-8(12(24)19-14)16-4-20(10)13-7(15)9(22)6(3-21)25-13/h4-7,9,13,21-22H,3H2,1-2H3,(H2,17,18,19,23,24)/t6-,7-,9-,13-/m1/s1
InChIKey
SLHADUUWJSVYGQ-HTFXMJNNSA-N
Chemical Structure
2D Structure
2D structure of N2-Isobutyryl-2'-fluoro-2'-deoxyguanosine
CAS: 80681-25-0
CID: 135742141
Formula: C14H18FN5O5
MW: 355.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.32
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass355.12919685
Monoisotopic Mass355.12919685
Topological Polar Surface Area138 Ų
Heavy Atom Count25
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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