NSC304114
[3,4-diacetyloxy-5-(3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolan-2-yl]methyl acetate
Also Known As: 7-(2,3,5-Tri-O-acetylpentofuranosyl)-7H-pyrazolo[4,3-e]tetrazolo[1,5-c]pyrimidine|[3,4-Diacetyloxy-5-(3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolan-2-yl]methyl acetate
CAS: 79974-33-7
| Molecular Formula | C16H17N7O7 |
|---|---|
| Molecular Weight | 419.11896 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.11896 |
| Monoisotopic Mass | 419.11896 |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 79974-33-7 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C4=NN=NN4C=N3)OC(=O)C)OC(=O)C |
| InChIKey | QBUIFIJNESGIED-UHFFFAOYSA-N |
Product Overview
NSC304114 (CAS 79974-33-7), with molecular formula C16H17N7O7 and molecular weight 419.11896 g/mol. IUPAC: [3,4-diacetyloxy-5-(3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)oxolan-2-yl]methyl acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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