Gonyautoxin-4
AlkaPlorer ID: AK076406
Synonym: None
IUPAC Name: [(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxymethanimidate
Structure
SMILES: N=C1N[C@H]2[C@H](COC(=N)[O-])N(O)C(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1
InChI: InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/p-1/t3-,4-,5-,9-/m0/s1
InChIKey: CETRDCWBMBILAL-LJRZAWCWSA-M
Source
Properties Information
Molecule Weight: 410.34500000000014
TPSA？: 258.67
MolLogP？: -5.316789999999996
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 3
Activities Information
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