NSC305502
13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Also Known As: 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one|5-Amino-4-(methylsulfanyl)-9-pentofuranosyl-1,9-dihydro-2H-pyrrolo[2,3-d:5,4-d']dipyrimidin-2-one
| Molecular Formula | C14H16N6O5S |
|---|---|
| Molecular Weight | 380.0903 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0903 |
| Monoisotopic Mass | 380.0903 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 74754-49-7 |
|---|---|
| SMILES | CSC1=NC(=O)NC2=C1C3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N |
| InChIKey | PSXRCOBDFZNYMG-UHFFFAOYSA-N |
Product Overview
NSC305502 (CAS 74754-49-7), with molecular formula C14H16N6O5S and molecular weight 380.0903 g/mol. IUPAC: 13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one.
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