2,4-Diamino-7-hydroxy-6-pteridineacetic Acid Ethyl Ester - CAS 6272-88-4
Catalog: |
BB062763 |
Product Name: |
2,4-Diamino-7-hydroxy-6-pteridineacetic Acid Ethyl Ester |
CAS: |
6272-88-4 |
Synonyms: |
Ethyl 2,4-Diamino-7-hydroxypteridine-6-acetate; 2,4-Diamino-7,8-dihydro-7-oxo-6-pteridineacetic Acid Ethyl Ester; NSC 33633 |
IUPAC Name: | ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate |
Description: | An intermediate in the synthesis of 6-substituted isoxanthopterins and 7-Hydroxy Aminopterin (H797250). |
Molecular Weight: | 264.24 |
Molecular Formula: | C10H12N6O3 |
Canonical SMILES: | CCOC(=O)CC1=NC2=C(N=C(N=C2NC1=O)N)N |
InChI: | InChI=1S/C10H12N6O3/c1-2-19-5(17)3-4-9(18)15-8-6(13-4)7(11)14-10(12)16-8/h2-3H2,1H3,(H5,11,12,14,15,16,18) |
InChI Key: | WZVQQTNDUDCTQI-UHFFFAOYSA-N |
Melting Point: | >280°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Yellow Solid |
Storage: | -20°C Freezer |
References: | Farquhar, D. et al. J. Med. Chem., 15, 567 (1972); Renfrew, A. et al. J. Org. Chem., 17, 467 (1952). |
Complexity: | 412 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.09708827 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.09708827 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 146Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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