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Isoxanthopterin

CAT: 0926-FI08026-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FI08026-01Size:100 mg
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CAS Number
529-69-1
MDL Number
MFCD00006696
Smiles
C1=NC2=C (NC1=O) N=C (NC2=O) N
Molecular Formula
C6H5N5O2
Molecular Weight
179.14 g/mol
Controlled
No

Chemical Information

Isoxanthopterin

2-aminopteridine-4,7-diol is a dihydroxypteridine.

CAS Number529-69-1
PubChem CID135398700
IUPAC Name2-amino-3,8-dihydropteridine-4,7-dione
Molecular FormulaC6H5N5O2
Molecular Weight179.14
XLogP-2.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity392
SMILES
C1=NC2=C(NC1=O)N=C(NC2=O)N
InChI
InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
InChIKey
GLKCOBIIZKYKFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoxanthopterin
CAS: 529-69-1
CID: 135398700
Formula: C6H5N5O2
MW: 179.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.14
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass179.04432442
Monoisotopic Mass179.04432442
Topological Polar Surface Area109 Ų
Heavy Atom Count13
Formal Charge0
Complexity392
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

Alternative Products

CatalogName
280298-01Isoxanthopterin
MBS1170486-01Recombinant Unknown prokaryotic organism Isoxanthopterin deaminase
HY-147114-013-Methyl-8- (2'-deoxy-β-D-ribofuranosyl) isoxanthopterin
TRC-M298205-1MG3-Methyl-8-(2’-deoxy-Beta-D-ribofuranosyl)isoxanthopterin
296248-013-Methyl-8- (2-deoxy-b-D-ribofuranosyl) isoxanthopterin
MBS58250013-Methyl-8-(2'-deoxy-beta-D-ribofuranosyl)isoxanthopterin
sc-2847836-Methyl-8- (2-deoxy-b-D-ribofuranosyl) isoxanthopterin
M3401-093-Methyl-8- (2’-deoxy-b-D-ribofuranosyl) isoxanthopterin (3-MI)
MBS6098850-013-Methyl-8-(2'-deoxy-b-D-ribofuranosyl)isoxanthopterin (3-MI)
sc-2165093-Methyl-8- (2'-deoxy-3',5'-di-O-toluoyl-α-D-ribofuranosyl) isoxanthopterin

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