CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Viscous liquid; Unstable and extremely hygroscopic; [Merck Index] |
|---|---|
| Color/Form | Yellow viscous oil |
| Melting Point | 195ºC (D-Calcium Pantothenate salt) |
| Solubility | Soluble |
| Stability/Shelf Life | Unstable ... easily destroyed by acids, bases, heat |
| Optical Rotation | Very hygroscopic crystals. Specific optical rotation: + 27.1 deg at 25 °C/D (C = 2) /Pantothenic acid, sodium salt/ |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitric oxide/. |
| Collision Cross Section | 148.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | 1 G EQUALS 70,000-75,000 CHICK UNITS |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 219.23 g/mol |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 219.11067264 g/mol |
| Monoisotopic Mass | 219.11067264 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 239 |
| 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
(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.