Fumonisin B4
TL;DR: Fumonisin B4 (CAS 136379-60-7) is a chemical compound with molecular formula C34H59NO13 and molecular weight 689.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5S,6S,7R,9R,18S,19R)-19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Also Known As: Fumonisin B4, 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid, 1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-(12-amino-11-hydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester, 2-[2-[(5S,6S,7R,9R,18S,19R)-19-amino-6-(3-carboxy-5-hydroxy-5-oxopentanoyl)oxy-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
| Molecular Formula | C34H59NO13 |
|---|---|
| Molecular Weight | 689.40 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 31 |
| Exact Mass | 689.3986 |
| Heavy Atoms | 48 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 136379-60-7 |
|---|---|
| SMILES | CCCC[C@H](C)[C@@H]([C@@H](C[C@H](C)CCCCCCCC[C@@H]([C@@H](C)N)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| InChIKey | WYYKRDVIBOEORL-YCPRMCKCSA-N |
Product Overview
Fumonisin B4 (CAS 136379-60-7), with molecular formula C34H59NO13 and molecular weight 689.40 g/mol. IUPAC: 2-[2-[(5S,6S,7R,9R,18S,19R)-19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid.
Chemical Property Profile of Fumonisin B4
Property Insights of Fumonisin B4
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumonisin B4. The TPSA of 248.0 Ų indicates high polarity, suggesting Fumonisin B4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fumonisin B4 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fumonisin B4?
The CAS number of Fumonisin B4 is 136379-60-7.
What is the molecular formula of Fumonisin B4?
The molecular formula of Fumonisin B4 is C34H59NO13.
What is the molecular weight of Fumonisin B4?
The molecular weight of Fumonisin B4 is 689.40 g/mol.
Where can I buy Fumonisin B4?
You can request a quote for Fumonisin B4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumonisin B4?
Yes, KEHONG BIO provides custom synthesis services for Fumonisin B4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.