okadaic acid
TL;DR: okadaic acid (CAS 78111-17-8) is a chemical compound with molecular formula C44H68O13 and molecular weight 804.466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-3-[11-hydroxy-2-[4-[4-hydroxy-2-[1-hydroxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoic acid
Also Known As: okadaic acid, halochondrine A, 9,10-Deepithio-9,10-didehydroacanthifolicin, 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, .alpha.,5-dihydroxy-.alpha.,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenes, 2-hydroxy-3-[7-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-methylpropanoic acid
Technical Specifications
| Molecular Formula | C44H68O13 |
| Molecular Weight | 804.466 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 804.466 Da |
| Heavy Atoms | 57 |
| Complexity | 1520.0 |
| SMILES | CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O |
| InChIKey | QNDVLZJODHBUFM-UHFFFAOYSA-N |
Chemical Property Profile of okadaic acid
Property Insights of okadaic acid
The XLogP value of 3.4 indicates that okadaic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting okadaic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, okadaic acid has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of okadaic acid?
The CAS number of okadaic acid is 78111-17-8.
What is the molecular formula of okadaic acid?
The molecular formula of okadaic acid is C44H68O13.
What is the molecular weight of okadaic acid?
The molecular weight of okadaic acid is 804.466 g/mol.
Where can I buy okadaic acid?
You can request a quote for okadaic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for okadaic acid?
Yes, CoreyChem provides custom synthesis services for okadaic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.