1.0 2010-04-08 22:09:49 UTC 2025-11-18 23:30:48 UTC FDB011767 N'-Hydroxysaxitoxin Isolated from the crab Zosimus aeneus. N'-Hydroxysaxitoxin C10H17N7O5 315.2859 315.129116689 {10,10-dihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methyl N-hydroxycarbamate {10,10-dihydroxy-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purin-4-yl}methyl N-hydroxycarbamate 153856-77-0 ONC(=O)OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12 InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(18)16-21)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-21H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15) AGUPJSLCNZPQMF-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 Azacyclic compounds Carbonyl hydrates Carboximidamides Diazinanes Guanidines Hydrocarbon derivatives Imidazolidines Imidazopyrimidines Imines Organopnictogen compounds Pyrrolidines 1,3-diazinane Aliphatic heteropolycyclic compound Alkaloid or derivatives Azacycle Carbonyl hydrate Carboximidamide Guanidine Hydrocarbon derivative Imidazolidine Imidazopyrimidine Imine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Saxitoxin-gonyautoxin skeleton logp -2.27 ALOGPS logs -2.05 ALOGPS solubility 2.80e+00 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 8.3 ChemAxon pka_strongest_basic 10.43 ChemAxon iupac {10,10-dihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methyl N-hydroxycarbamate ChemAxon average_mass 315.2859 ChemAxon mono_mass 315.129116689 ChemAxon smiles ONC(=O)OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12 ChemAxon formula C10H17N7O5 ChemAxon inchi InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(18)16-21)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-21H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15) ChemAxon inchikey AGUPJSLCNZPQMF-UHFFFAOYSA-N ChemAxon polar_surface_area 186.05 ChemAxon refractivity 90.19 ChemAxon polarizability 28.81 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 9 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16852 Specdb::CMs 43424 Specdb::CMs 137566 Specdb::CMs 145300 Specdb::MsMs 47604 Specdb::MsMs 47605 Specdb::MsMs 47606 Specdb::MsMs 176355 Specdb::MsMs 176356 Specdb::MsMs 176357 Specdb::MsMs 2423902 Specdb::MsMs 2423903 Specdb::MsMs 2423904 Specdb::MsMs 2515611 Specdb::MsMs 2515612 Specdb::MsMs 2515613 Specdb::NmrOneD 121358 Specdb::NmrOneD 121359 Specdb::NmrOneD 121360 Specdb::NmrOneD 121361 Specdb::NmrOneD 121362 Specdb::NmrOneD 121363 Specdb::NmrOneD 121364 Specdb::NmrOneD 121365 Specdb::NmrOneD 121366 Specdb::NmrOneD 121367 Specdb::NmrOneD 121368 Specdb::NmrOneD 121369 Specdb::NmrOneD 121370 Specdb::NmrOneD 121371 Specdb::NmrOneD 121372 Specdb::NmrOneD 121373 Specdb::NmrOneD 121374 Specdb::NmrOneD 121375 Specdb::NmrOneD 121376 Specdb::NmrOneD 121377 HMDB33664 #<Reference:0x000055ce32596ec8>