Bastadin 5
(12E,25E)-5,16,21,32,36-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione
Also Known As: bastadin 5|bastadin-5|(12E,25E)-5,16,21,32,36-Pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2~14,17~.1~3,7~.1~19,23~]octatriaconta-1(32),3(38),4,6,14,16,19(35),20,22,30,33,36-dodecaene-11,26-dione|(12E,25E)-5,16,21,32,36-Pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione|2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 5,16,21,32,36-pentabromo-4,20-dihydroxy-, 12,25-dioxime|5,16,21,32,36-Pentabromo-4,20-dihydroxy-2,18-dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone 12,25-dioxime
| Molecular Formula | C34H27Br5N4O8 |
|---|---|
| Molecular Weight | 1013.7746 g/mol |
| LogP | 8.2715 |
| Topological Polar Surface Area | 182.3 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 1013.7746 |
| Monoisotopic Mass | 1017.7705 |
| Heavy Atoms | 51 |
| Complexity | 2052.1252 |
Chemical Identifiers
| CAS Number | 79067-75-7 |
|---|---|
| SMILES | C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(C/C(=N\O)/C(=O)NCCC4=CC(=C(C(=C4)Br)O)OC5=C(C=C1C=C5)Br)C=C3Br)Br |
Product Overview
Bastadin 5 (CAS 79067-75-7), with molecular formula C34H27Br5N4O8 and molecular weight 1013.7746 g/mol. IUPAC: (12E,25E)-5,16,21,32,36-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione.