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PU-20F

CAT: 0013-GTR19199748-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199748-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PU-20F
CAS Number
422508-29-0
Smiles
C (N1C=2C (N=C1CC3=CC (OC) =C (OC) C (OC) =C3) =C (N) N=C (F) N2) C4CCCO4
Molecular Formula
C20H24FN5O4
Molecular Weight
417.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Fluoro-9-((tetrahydrofuran-2-yl)methyl)-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CAS Number422508-29-0
PubChem CID44376563
IUPAC Name2-fluoro-9-(oxolan-2-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine
Molecular FormulaC20H24FN5O4
Molecular Weight417.4
XLogP2.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity549
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N=C(N=C3N2CC4CCCO4)F)N
InChI
InChI=1S/C20H24FN5O4/c1-27-13-7-11(8-14(28-2)17(13)29-3)9-15-23-16-18(22)24-20(21)25-19(16)26(15)10-12-5-4-6-30-12/h7-8,12H,4-6,9-10H2,1-3H3,(H2,22,24,25)
InChIKey
DCCFJBTUMBSRGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-9-((tetrahydrofuran-2-yl)methyl)-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CAS: 422508-29-0
CID: 44376563
Formula: C20H24FN5O4
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass417.18123243
Monoisotopic Mass417.18123243
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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