CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 133.43 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 194.14 g/mol |
|---|---|
| XLogP3 | -2.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.04265265 g/mol |
| Monoisotopic Mass | 194.04265265 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 201 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
2-dehydro-D-gluconic acid is a ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group. It has a role as a bacterial metabolite. It is functionally related to a D-gluconic acid. It is a conjugate acid of a 2-dehydro-D-gluconate.