COMPUTED DESCRIPTORS
| Molecular Weight | 335.35 g/mol |
|---|---|
| XLogP3 | -4.1 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 335.15801676 g/mol |
| Monoisotopic Mass | 335.15801676 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 433 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor, a bacterial metabolite, an antibiotic insecticide and an animal metabolite. It is an amino cyclitol and a secondary amino compound. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+).