CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >23 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 133.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 153.16 g/mol |
|---|---|
| XLogP3 | -4.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 153.00957888 g/mol |
| Monoisotopic Mass | 153.00957888 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 136 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Sulfinoalanine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).