LYCOPSAMINE-N-OXIDE

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Keyword(s): Drinking Water Chemicals ; Natural Toxins
Molecule Category Free-form

Structure

InChI Key DNAWGBOKUFFVMB-FVZLBROTSA-N
Smiles C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O
InChI
InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-,16?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H25NO6
Molecular Weight 315.17
AlogP -0.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 110.05
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 95462-15-0
NORMAN SUSDAT
PubChem 340067
ChemSpider 301478.0
CONTENTS