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8-Hydroxyadenine

CAT: 1299-RG-A262811-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262811-02Size:25 mg
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CAS Number
21149-26-8
Synonyms
6-amino-7,9-dihydro-8H-purin-8-one
Molecular Formula
C5H5N5O
Molecular Weight
151.13
Product Name Synonym
6-amino-7,9-dihydro-8H-purin-8-one

Chemical Information

8-Hydroxyadenine

8-oxoadenine is an oxopurine that is adenine bearing a single oxo substituent at position 8. It has a role as a human metabolite. It is a member of 6-aminopurines, an oxopurine and a nucleobase analogue. It is functionally related to an adenine. It is a tautomer of an 8-hydroxyadenine.

CAS Number21149-26-8
PubChem CID5355054
IUPAC Name6-amino-7,9-dihydropurin-8-one
Molecular FormulaC5H5N5O
Molecular Weight151.13
XLogP-1.2
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity184
SMILES
C1=NC(=C2C(=N1)NC(=O)N2)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey
RGKBRPAAQSHTED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyadenine
CAS: 21149-26-8
CID: 5355054
Formula: C5H5N5O
MW: 151.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.13
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass151.04940980
Monoisotopic Mass151.04940980
Topological Polar Surface Area92.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity184
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