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2-[2-(4-Fluorophenyl)ethoxy]adenosine

CAT: 0572-TRC-F595755-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F595755-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131865-85-5
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Nc1nc(OCCc2ccc(F)cc2)nc3c1ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O
Molecular Formula
C18 H20 F N5 O5
Molecular Weight
405.38
InChI
InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
Additionnal Information
IUPAC name: (2R,3R,4S,5R)-2-[6-amino-2-[2-(4-fluorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(2-(4-Fluorophenyl)ethoxy)adenosine
CAS Number131865-85-5
PubChem CID9865975
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-fluorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC18H20FN5O5
Molecular Weight405.4
XLogP1.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity543
SMILES
C1=CC(=CC=C1CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)F
InChI
InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
InChIKey
WJXSIJUIBOTFHQ-LSCFUAHRSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(4-Fluorophenyl)ethoxy)adenosine
CAS: 131865-85-5
CID: 9865975
Formula: C18H20FN5O5
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass405.14484692
Monoisotopic Mass405.14484692
Topological Polar Surface Area149 Ų
Heavy Atom Count29
Formal Charge0
Complexity543
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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Alternative Products

CatalogName
NF16548-012-[2- (4-Fluorophenyl) ethoxy]adenosine
MBS6048385-012-[2-(4-Fluorophenyl)ethoxy]adenosine
295645-012-[2- (4-Chlorophenyl) ethoxy]adenosine
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PC101617-01(4-Ethoxy-2-fluorophenyl) methanol
PC1018925-011- (2-Ethoxy-4-fluorophenyl) -2,2-difluoroethanone
PC1012693-012- (4-ethoxy-2-fluorophenyl) propan-2-ol
PC1013977-01Ethyl 2- (4-ethoxy-2-fluorophenyl) -2-oxoacetate
PC1020825-01(2-ethoxy-4-fluorophenyl) (ethyl) sulfane
PC1020433-01(2-ethoxy-4-fluorophenyl) (phenyl) methanol

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