7-Amino-2-β-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine - CAS 28279-62-1
Catalog: |
BB074486 |
Product Name: |
7-Amino-2-β-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine |
CAS: |
28279-62-1 |
Synonyms: |
2-β-D-Ribofuranosyl-2H-1,2,3-triazolo[4,5-d]pyrimidin-7-amine |
IUPAC Name: | 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
Description: | 7-Amino-2-β-D-ribofuranosyl-v-triazolo[4,5-d]pyrimidine was used in the study for synthesis and antitumor activity of certain 3-β- D- ribofuranosyl- and 2'- deoxy- D- ribofuranosyl- v- triazolo[4, 5- d] pyrimidines. |
Molecular Weight: | 268.23 |
Molecular Formula: | C9H12N6O4 |
Canonical SMILES: | C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O |
InChI: | InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)14-15(13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12,14) |
InChI Key: | RDPTWPVOUPSVOZ-UHFFFAOYSA-N |
References: | Hutzenlaub, W., et al. J. Med. Chem., 15, 879 (1972).. |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.09200289 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.09200289 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 152Ų |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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