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78111-17-8

78111-17-8 structural image
Product Name: OKADAIC ACID
Formula: C44H68O13
Synonyms: OA;Okadaic Acid, Prorocentrum sp. - CAS 78111-17-8 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from dichloromethane/hexane; crystals from benzene-CHCl3
Melting Point 171-175 °C; 164-166 °C
Solubility Readily soluble in many organic solvents, degrading in acid or base
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Specific optical rotation = +21 deg at 20 °C/D (c = 0.33 in CHCl3); +25.4 deg at 25 °C/D (c = 0.24 in CHCl3)
Decomposition Hazardous decomposition products formed under fire conditions. - Carbon oxides
Other Experimental Properties Ionophoric polyether identified in marine organisms

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H315:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 805.0 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 10
Exact Mass 804.46599222 g/mol
Monoisotopic Mass 804.46599222 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1520
Isotope Atom Count 0
Defined Atom Stereocenter Count 17
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Okadaic acid is a polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells. It has a role as a marine metabolite, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and a calcium ionophore.