Gonyautoxin III
[CAS# 60537-65-7]

Identification

• Name: Gonyautoxin III
• Synonyms: Gonyautoxin 3
• Molecular Formula: C₁₀H₁₇N₇O₈S
• Molecular Weight: 395.35
• CAS Registry Number: 60537-65-7
• SMILES: [C@@]123N(C[C@H](O[S]([O-])(=O)=O)C1(O)O)C(=N[C@H]([C@@H]2NC(=N3)N)COC(=O)N)N.[H+]
• InChI: 1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4-,5-,9-/m0/s1
• InChIKey: ARSXTTJGWGCRRR-LJRZAWCWSA-N

Properties

• Density: 2.52g/cm³ (Cal.)