465-42-9
Product Name:
CAPSANTHIN
Formula:
C40H56O3
Synonyms:
(3R,3′S,5′R)-3,3′-Dihydroxy-β,κ-caroten-6′-one
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Deep carmine-red needles from petroleum ether |
|---|---|
| Melting Point | 176 °C |
| Solubility | In water, 3.41X10-10 mg/L at 25 °C (estimated) |
| Vapor Pressure | 4.65X10-18 mm Hg at 25 °C (estimated) |
| Henry's Law Constant | Henry's law constant = 2.9X10-8 cu m-atm/mol at 25 °C (estimated) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Other Experimental Properties | Optical rotation (cadmium): +36 deg (chloroform) |
COMPUTED DESCRIPTORS
| Molecular Weight | 584.9 g/mol |
|---|---|
| XLogP3 | 10.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 11 |
| Exact Mass | 584.42294564 g/mol |
| Monoisotopic Mass | 584.42294564 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Capsanthin is a carotenone. It has a role as a plant metabolite.