TL;DR: Fumonisin C1 (CAS 152726-69-7) is a chemical compound with molecular formula C33H57NO15 and molecular weight 707.3728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3,4-dicarboxybutanoyloxy)-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid
Also Known As: Fumonisin C1, 2,2'-{(19-Amino-12,17,18-trihydroxy-6,10-dimethylnonadecane-7,8-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid, 2,2'-{[(6R,7R,8S,10S,12R,17S,18R)-19-Amino-12,17,18-trihydroxy-6,10-dimethylnonadecane-7,8-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid, 2-[2-[(6R,7R,8S,10S,12R,17S,18R)-19-amino-7-(3-carboxy-5-hydroxy-5-oxopentanoyl)oxy-12,17,18-trihydroxy-6,10-dimethylnonadecan-8-yl]oxy-2-oxoethyl]butanedioic acid
| Molecular Formula | C33H57NO15 |
| Molecular Weight | 707.3728 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 289.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Exact Mass | 707.3728 Da |
| Heavy Atoms | 49 |
| Complexity | 1040.0 |
| SMILES | CCCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@@H]([C@@H](CN)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O |
| InChIKey | RAFIOTNCEWWBRB-AESRGBRLSA-N |
The XLogP value of -0.8 indicates that Fumonisin C1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 289.0 Ų indicates high polarity, suggesting Fumonisin C1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fumonisin C1 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fumonisin C1 is 152726-69-7.
The molecular formula of Fumonisin C1 is C33H57NO15.
The molecular weight of Fumonisin C1 is 707.3728 g/mol.
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