CHEMBL3304869
[(2R,4R,5R,6S)-5-acetyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate
Also Known As: 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 3-(acetyloxy)-2,3,3a,9a-tetrahydro-6-imino-, acetate (ester), [2R-(2alpha,3beta,3abeta,9abeta)]-|6H-Furo[2a(2),3a(2):4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 3-(acetyloxy)-2,3,3a,9a-tetrahydro-6-imino-, acetate (ester), [2R-(2I+/-,3I(2),3aI(2),9aI(2))]-
| Molecular Formula | C13H15N3O6 |
|---|---|
| Molecular Weight | 309.0961 g/mol |
| LogP | -0.48423 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.0961 |
| Monoisotopic Mass | 309.0961 |
| Heavy Atoms | 22 |
| Complexity | 671.98444 |
Chemical Identifiers
| CAS Number | 62840-03-3 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H](O1)N3C=CC(=N)N=C3O2)OC(=O)C |
Product Overview
CHEMBL3304869 (CAS 62840-03-3), with molecular formula C13H15N3O6 and molecular weight 309.0961 g/mol. IUPAC: [(2R,4R,5R,6S)-5-acetyloxy-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl acetate.
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