Gonyautoxin VIII
[CAS# 80226-62-6]

Identification

• Name: Gonyautoxin VIII
• Synonyms: Carbamic Acid, Sulfo-, C-((2,6-Diamino-3A,4,9,10-Tetrahydro-10,10-Dihydroxy-9-(Sulfooxy)-1H,8H-Pyrrolo(1,2-C)Purin-4-Yl)Methyl) Ester, (3As-(3Aalpha,4Alpha,9Alpha,10Ar*))-; Carbamoyl-N-Sulfo-11Beta-Hydroxysaxitoxin Sulfate; Carbamoyl-N-Sulfogonyautoxin Iii
• Molecular Formula: C₁₀H₁₇N₇O₁₁S₂
• Molecular Weight: 475.40
• CAS Registry Number: 80226-62-6
• 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[S](O)(=O)=O)N
• InChI: 1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1
• InChIKey: OKSSKVHGKYJNLL-LJRZAWCWSA-N

Properties

• Density: 2.614g/cm³ (Cal.)