Anhydrotetrodotoxin
AlkaPlorer ID: AK124706
Synonym: None
IUPAC Name: (1R,2S,3S,4S,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol
Structure
SMILES: N=C1N[C@H]2O[C@@H]3[C@]4(O)O[C@@H]5[C@H]2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO
InChI: InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6+,7+,9+,10-,11+/m1/s1
InChIKey: STNXQECXKDMLJK-PZKHIREQSA-N
Source
Properties Information
Molecule Weight: 301.25500000000005
TPSA？: 156.52
MolLogP？: -4.264529999999996
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 6
Activities Information
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