8-Hydroxyadenine

CAT: 1299-RG-A262811-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262811-03Size:50 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 Number	21149-26-8
PubChem CID	5355054
IUPAC Name	6-amino-7,9-dihydropurin-8-one
Molecular Formula	C5H5N5O
Molecular Weight	151.13
XLogP	-1.2
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	184

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

CAS: 21149-26-8

CID: 5355054

Formula: C5H5N5O

MW: 151.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	151.13
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	151.04940980
Monoisotopic Mass	151.04940980
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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RM-E130408-01	Emedastine Impurity 8
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Alternative Products

Catalog	Name
FH09768-01	8-Hydroxyadenine
H 007-500	8- Hydroxyadenine (8-OH-Ade)
MBS256252-01	2- Hydroxyadenine (2-OH-Ade)
M31480-01	8,8-Bibaicalein
CUA89082-01	8,8''-Biskoenigine
TBZ0090	8,8'-Bieckol
sc-20020	NCK2 (8.8)
HY-160589	Nav1.8-IN-8
HY-161737-01	YT-8-8
HY-N8842-01	8,8''-Bibaicalein

8-Hydroxyadenine

Chemical Information

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