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Xanthopterin

CAT: 0931-T13969L-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13969L-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-44-8
Target
Others, DNA/RNA Synthesis
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
Xanthopterin could inhibit the growth of lymphocytes produced by concanavalin.
Smiles
Nc1nc(O)c2nc(O)cnc2n1
Molecular Formula
C6H5N5O2
Molecular Weight
179.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Xanthopterin

2-amino-4,6-pteridinediol is a member of pterins.

CAS Number119-44-8
PubChem CID135403800
IUPAC Name2-amino-3,5-dihydropteridine-4,6-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(C(=O)NC(=N2)N)NC1=O
InChI
InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey
VURKRJGMSKJIQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthopterin
CAS: 119-44-8
CID: 135403800
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

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