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3-Deazaguanosine

CAT: 0013-GTR19257598-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257598-01Size:50 mg
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Description
3-Deazaguanosine (C3Guo) exhibits potent antiviral activity against SARS-CoV-2 with an EC50 of 1.14 μM and a CC50 greater than 200 μM in Vero E6 cells. It has the potential to prevent COVID-19.
CAS Number
56039-11-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1C2=C (N (C=N2) [C@@H]3O[C@H] (CO) [C@@H] (O) [C@H]3O) C=C (N) N1
Molecular Formula
C11H14N4O5
Molecular Weight
282.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Deazaguanosine

structure

CAS Number56039-11-3
PubChem CID124316
IUPAC Name6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
Molecular FormulaC11H14N4O5
Molecular Weight282.25
XLogP-2.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity445
SMILES
C1=C(NC(=O)C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C11H14N4O5/c12-6-1-4-7(10(19)14-6)13-3-15(4)11-9(18)8(17)5(2-16)20-11/h1,3,5,8-9,11,16-18H,2H2,(H3,12,14,19)/t5-,8-,9-,11-/m1/s1
InChIKey
JJXPEDPBLSOWRJ-MGUDNFKCSA-N
Chemical Structure
2D Structure
2D structure of 3-Deazaguanosine
CAS: 56039-11-3
CID: 124316
Formula: C11H14N4O5
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP3-2.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass282.09641956
Monoisotopic Mass282.09641956
Topological Polar Surface Area143 Ų
Heavy Atom Count20
Formal Charge0
Complexity445
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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