Okadaic Acid, Ammonium Salt

Base Information

• Chemical Name: Okadaic Acid, Ammonium Salt
• CAS No.: 155716-06-6
• Molecular Formula: C46H72O13.H3N
• Molecular Weight: 822.03
• European Community (EC) Number: 629-823-9
• DSSTox Substance ID: DTXSID40585245
• Mol file: 155716-06-6.mol

Synonyms:Okadaic Acid, Ammonium Salt;155716-06-6;Azanium;(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-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]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoate;DTXSID40585245;PUBCHEM_16219809;J-009218;Okadaic acid ammonium salt from Prorocentrum concavum, >=90% (HPLC), solid

Chemical Property of Okadaic Acid, Ammonium Salt

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 947.3 °C at 760 mmHg
• Flash Point: 526.7 °C
• PSA: 185.66000
• LogP: 4.25510
• Storage Temp.: −20°C
• Solubility.: H2O: 0.1 mg/mL
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 821.49254132
• Heavy Atom Count: 58
• Complexity: 1510

Purity/Quality:

98%,99%, ^*data from raw suppliers

Okadaic acid ammonium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-38
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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.[NH4+]
• Isomeric SMILES: C[C@@H]1CC[C@]2(CCCCO2)OC1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4C(O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)[O-])O)O)C)O)O.[NH4+]