AC1MI29O
3,5,29,30-tetraoxa-14,17,18,19,22-pentazatricyclo[24.2.1.17,10]triaconta-1(28),7,9,26-tetraene-11,25-dione
Also Known As: 1,4,6,9-Tetraoxa-12,15,18,21,24-pentaazadifuro(2,1,5-a,z:2,1,5-h,i)cyclohexacosane-11,25-dione|3,5-Dioxa-11,14,15,16,19-pentaaza-1,7(2,5)-difuranacyclodocosaphane-8,22-dione
CAS: 79713-41-0
| Molecular Formula | C21H31N5O6 |
|---|---|
| Molecular Weight | 449.22745 g/mol |
| LogP | 0.5007 |
| Topological Polar Surface Area | 139.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 0 |
| Exact Mass | 449.22745 |
| Monoisotopic Mass | 449.22745 |
| Heavy Atoms | 32 |
| Complexity | 770.0168 |
Chemical Identifiers
| CAS Number | 79713-41-0 |
|---|---|
| SMILES | C1CNCCNNNCCNCCC(=O)C2=CC=C(O2)COCOCC3=CC=C(C1=O)O3 |
Product Overview
AC1MI29O (CAS 79713-41-0), with molecular formula C21H31N5O6 and molecular weight 449.22745 g/mol. IUPAC: 3,5,29,30-tetraoxa-14,17,18,19,22-pentazatricyclo[24.2.1.17,10]triaconta-1(28),7,9,26-tetraene-11,25-dione.
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.
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