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Isoguanine

CAT: 0013-GTR19173358-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173358-01Size:25 mg
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Description
Isoguanine is a purine isomer utilized as a synthetic building block in organic chemistry. It serves as a research tool in nucleotide analog studies, with applications explored in biochemical and pharmacological research contexts both in vitro and in model systems.
CAS Number
3373-53-3
Product Name Alternative
NucleosideAntimetabolite, Nucleoside Antimetabolite/Analog, Nucleoside Antimetabolite, inhibit, Isoguanine, Inhibitor, Analog
Field of Research
Cell Biology, Molecular Biology
Purity
99.90% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ;0.1M NaOH:10 mg/mL (66.17 mM) ; DMSO:1.52 mg/mL (10.06 mM)
Smiles
Nc1nc (O) nc2nc[nH]c12
Molecular Formula
C5H5N5O
Molecular Weight
151.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoguanine

Isoguanine is an oxopurine that is 3,7-dihydro-purin-2-one in which the hydrogen at position 6 is substituted by an amino group.

CAS Number3373-53-3
PubChem CID76900
IUPAC Name6-amino-1,7-dihydropurin-2-one
Molecular FormulaC5H5N5O
Molecular Weight151.13
XLogP-1.7
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity313
SMILES
C1=NC2=NC(=O)NC(=C2N1)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
DRAVOWXCEBXPTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoguanine
CAS: 3373-53-3
CID: 76900
Formula: C5H5N5O
MW: 151.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.13
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.04940980
Monoisotopic Mass151.04940980
Topological Polar Surface Area91.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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