CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Slightly yellow to amber, nearly odourless, clear, viscous oil which oxidises and darkens on exposure to air or light |
|---|---|
| Melting Point | 3 °C |
| Solubility | Insoluble in water, but water-dispersible. |
| Vapor Pressure | 0.00000001 [mmHg] |
| Optical Rotation | [α]D/25 0° ± 0,05° (1 in 10 solution in chloroform) |
| Refractive Index | [n]D/20 1,503-1,507 |
| Collision Cross Section | 216.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 3112 |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 430.7 g/mol |
|---|---|
| XLogP3 | 10.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 430.381080833 g/mol |
| Monoisotopic Mass | 430.381080833 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 503 |
| 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
(R,R,R)-alpha-tocopherol is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has a role as an antioxidant, a nutraceutical, an antiatherogenic agent, an EC 2.7.11.13 (protein kinase C) inhibitor, an anticoagulant, an immunomodulator, an antiviral agent, a micronutrient, an algal metabolite and a plant metabolite. It is an enantiomer of a (S,S,S)-alpha-tocopherol.
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