Surugatoxin
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
Also Known As: Surugatoxin|(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
| Molecular Formula | C25H26BrN5O13 |
|---|---|
| Molecular Weight | 683.07104 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 683.07104 |
| Monoisotopic Mass | 683.07104 |
| Heavy Atoms | 44 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 40957-92-4 |
|---|---|
| SMILES | CC1(C(=O)N2C3C(=NCC2(C(C14C5=C(C=C(C=C5)Br)NC4=O)C(=O)OC6C(C(C(C(C6O)O)O)O)O)O)NC(=O)NC3=O)O |
| InChIKey | UVZLBJYVHGTOFH-UHFFFAOYSA-N |
Product Overview
Surugatoxin (CAS 40957-92-4), with molecular formula C25H26BrN5O13 and molecular weight 683.07104 g/mol. IUPAC: (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate.
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