2-Amino-1,5,7,8-Tetrahydropteridine-4,6-Dione - CAS 1131-35-7
Catalog: |
BB053645 |
Product Name: |
2-Amino-1,5,7,8-Tetrahydropteridine-4,6-Dione |
CAS: |
1131-35-7 |
Synonyms: |
7,8-dihydroxanthopterin |
IUPAC Name: | 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione |
Molecular Weight: | 181.15 |
Molecular Formula: | C6H7N5O2 |
Canonical SMILES: | C1C(=O)NC2=C(N1)N=C(NC2=O)N |
InChI: | InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13) |
InChI Key: | JLRDKNBQJOODBP-UHFFFAOYSA-N |
Purity: | 96% by HPLC |
Density: | 2.2±0.1 g/cm3 |
Appearance: | Yellow Solid |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.05997448 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.05997448 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.9 |
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