RETRORSINE N-OXIDE

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

Structure

InChI Key IDIMIWQPUHURPV-BJODLBMNSA-N
Smiles C/C=C1/C[C@H]([C@@](C(=O)OCC2=CC[N@@+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C
InChI
InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25NO7
Molecular Weight 367.16
AlogP 0.18
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 116.12
Heavy Atoms 26.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 76972338
ChemSpider 32697679.0
CONTENTS