CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 227.5 °C |
| Solubility | 273 mg/L |
| LogP | 2.6 |
| Collision Cross Section | 176.54 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 3014.6 |
COMPUTED DESCRIPTORS
| Molecular Weight | 302.28 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 302.07903816 g/mol |
| Monoisotopic Mass | 302.07903816 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 413 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Hesperetin is a trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3'-hydroxyflavanones and a member of 4'-methoxyflavanones. It is a conjugate acid of a hesperetin(1-).