Dinophysistoxin 4
TL;DR: Dinophysistoxin 4 (CAS 162795-98-4) is a chemical compound with molecular formula C66H104O30S3 and molecular weight 1472.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E,5E)-7-[2-hydroxy-3-[11-hydroxy-2-[(E)-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-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate
Also Known As: Dinophysistoxin 4, Dtx-4 toxin, [(3E,5E)-7-[2-hydroxy-3-[11-hydroxy-2-[(E)-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-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate, [(3e,5e)-7-[2-hydroxy-3-[11-hydroxy-2-[(e)-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[2,3-e]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (e)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate, [(3E,5E)-7-[2-hydroxy-3-[7-hydroxy-4-[(E)-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-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate
| Molecular Formula | C66H104O30S3 |
|---|---|
| Molecular Weight | 1472.58 g/mol |
| LogP | 4.8928 |
| Topological Polar Surface Area | 449.62 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 34 |
| Exact Mass | 1472.5775 |
| Heavy Atoms | 99 |
| Complexity | 3182.7976 |
Chemical Identifiers
| CAS Number | 162795-98-4 |
|---|---|
| SMILES | CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)/C=C/C(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OC/C(=C/C=C/CCOC(=O)C/C=C/CCC(CC(CC(C(C(COS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)/C)O)O)C)O)O |
Product Overview
Dinophysistoxin 4 (CAS 162795-98-4), with molecular formula C66H104O30S3 and molecular weight 1472.58 g/mol. IUPAC: [(3E,5E)-7-[2-hydroxy-3-[11-hydroxy-2-[(E)-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-methylpropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7,11,13-trihydroxy-9,12,14-trisulfooxytetradec-3-enoate.
Chemical Property Profile of Dinophysistoxin 4
Property Insights of Dinophysistoxin 4
The XLogP value of 4.8928 indicates that Dinophysistoxin 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 449.62 Ų indicates high polarity, suggesting Dinophysistoxin 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinophysistoxin 4 has 10 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinophysistoxin 4?
The CAS number of Dinophysistoxin 4 is 162795-98-4.
What is the molecular formula of Dinophysistoxin 4?
The molecular formula of Dinophysistoxin 4 is C66H104O30S3.
What is the molecular weight of Dinophysistoxin 4?
The molecular weight of Dinophysistoxin 4 is 1472.58 g/mol.
Where can I buy Dinophysistoxin 4?
You can request a quote for Dinophysistoxin 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinophysistoxin 4?
Yes, KEHONG BIO provides custom synthesis services for Dinophysistoxin 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.