165542-15-4
Product Name:
HYDROXYECTOINE
Formula:
C6H10N2O3
Synonyms:
(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid;THP(A)
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COMPUTED DESCRIPTORS
| Molecular Weight | 158.16 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 158.06914219 g/mol |
| Monoisotopic Mass | 158.06914219 g/mol |
| Topological Polar Surface Area | 81.9 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 202 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a carboxamidine, a secondary alcohol, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of a 5-hydroxyectoinate. It is a tautomer of a 5-hydroxyectoine zwitterion.