Fumonisin A1
TL;DR: Fumonisin A1 (CAS 117415-48-2) is a chemical compound with molecular formula C36H61NO16 and molecular weight 763.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Also Known As: Fumonisin A1, (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid, 1,1'-(1-(12-Acetylamino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) 1,2,3-propanetricarboxylate, (2R)-2-(2-((5R,6R,7S,9S,11R,16R,18S,19S)-19-acetamido-6-((3R)-3,4-dicarboxybutanoyl)oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl)oxy-2-oxoethyl)butanedioic acid, (2R)-2-(2-((5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-((3R)-3,4-dicarboxybutanoyl)oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl)oxy-2-oxoethyl)butanedioic acid
| Molecular Formula | C36H61NO16 |
|---|---|
| Molecular Weight | 763.40 g/mol |
| LogP | 2.7416 |
| Topological Polar Surface Area | 291.59 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Exact Mass | 763.39905 |
| Heavy Atoms | 53 |
| Complexity | 1178.1431 |
Chemical Identifiers
| CAS Number | 117415-48-2 |
|---|---|
| SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@@H](C[C@H]([C@@H](C)NC(=O)C)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
Product Overview
Fumonisin A1 (CAS 117415-48-2), with molecular formula C36H61NO16 and molecular weight 763.40 g/mol. IUPAC: (2R)-2-[2-[(5R,6R,7S,9S,11R,16S,18R,19R)-19-acetamido-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid.
Chemical Property Profile of Fumonisin A1
Property Insights of Fumonisin A1
The XLogP value of 2.7416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumonisin A1. The TPSA of 291.59 Ų indicates high polarity, suggesting Fumonisin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fumonisin A1 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fumonisin A1?
The CAS number of Fumonisin A1 is 117415-48-2.
What is the molecular formula of Fumonisin A1?
The molecular formula of Fumonisin A1 is C36H61NO16.
What is the molecular weight of Fumonisin A1?
The molecular weight of Fumonisin A1 is 763.40 g/mol.
Where can I buy Fumonisin A1?
You can request a quote for Fumonisin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumonisin A1?
Yes, KEHONG BIO provides custom synthesis services for Fumonisin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.