1.0 2010-04-08 22:09:42 UTC 2025-11-18 23:29:08 UTC FDB011560 Gonyautoxin II From Gonyaulax and Protogonyaulax subspecies Gonyautoxin II is found in mollusks. Gonyautoxin II C10H17N7O8S 395.349 395.085931245 {4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid {4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid 60508-89-6 NC(=O)OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12 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) ARSXTTJGWGCRRR-UHFFFAOYSA-N belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Saxitoxins, gonyautoxins, and derivatives Organic compounds Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Aliphatic heteropolycyclic compounds Alkaloids and derivatives Alkyl sulfates Azacyclic compounds Carbonyl hydrates Carboximidamides Carboximidic acids and derivatives Diazinanes Guanidines Hydrocarbon derivatives Imidazolidines Imidazopyrimidines Imines Organic oxides Organopnictogen compounds Pyrrolidines Sulfuric acid monoesters 1,3-diazinane Aliphatic heteropolycyclic compound Alkaloid or derivatives Alkyl sulfate Azacycle Carbonyl hydrate Carboximidamide Carboximidic acid derivative Guanidine Hydrocarbon derivative Imidazolidine Imidazopyrimidine Imine Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Saxitoxin-gonyautoxin skeleton Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp -2.41 ALOGPS logs -2.09 ALOGPS solubility 3.22e+00 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic -1.9 ChemAxon pka_strongest_basic 10.32 ChemAxon iupac {4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid ChemAxon average_mass 395.349 ChemAxon mono_mass 395.085931245 ChemAxon smiles NC(=O)OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12 ChemAxon formula C10H17N7O8S ChemAxon inchi 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) ChemAxon inchikey ARSXTTJGWGCRRR-UHFFFAOYSA-N ChemAxon polar_surface_area 243.41 ChemAxon refractivity 99.92 ChemAxon polarizability 34.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9781 Specdb::CMs 43332 Specdb::CMs 119143 Specdb::CMs 134704 Specdb::CMs 142438 Specdb::CMs 903921 Specdb::CMs 903922 Specdb::CMs 903923 Specdb::CMs 903924 Specdb::CMs 903925 Specdb::CMs 903926 Specdb::CMs 903927 Specdb::CMs 903928 Specdb::CMs 903929 Specdb::CMs 903930 Specdb::CMs 903931 Specdb::CMs 903932 Specdb::CMs 903933 Specdb::CMs 903934 Specdb::CMs 903935 Specdb::CMs 903936 Specdb::CMs 903937 Specdb::CMs 903938 Specdb::CMs 903939 Specdb::CMs 903940 Specdb::NmrOneD 120278 Specdb::NmrOneD 120279 Specdb::NmrOneD 120280 Specdb::NmrOneD 120281 Specdb::NmrOneD 120282 Specdb::NmrOneD 120283 Specdb::NmrOneD 120284 Specdb::NmrOneD 120285 Specdb::NmrOneD 120286 Specdb::NmrOneD 120287 Specdb::NmrOneD 120288 Specdb::NmrOneD 120289 Specdb::NmrOneD 120290 Specdb::NmrOneD 120291 Specdb::NmrOneD 120292 Specdb::NmrOneD 120293 Specdb::NmrOneD 120294 Specdb::NmrOneD 120295 Specdb::NmrOneD 120296 Specdb::NmrOneD 120297 Specdb::MsMs 9857 Specdb::MsMs 9858 Specdb::MsMs 9859 Specdb::MsMs 16529 Specdb::MsMs 16530 Specdb::MsMs 16531 Specdb::MsMs 2373318 Specdb::MsMs 2373319 Specdb::MsMs 2373320 Specdb::MsMs 2565869 Specdb::MsMs 2565870 Specdb::MsMs 2565871 HMDB0033507 Mollusks Unknown generic 6447