Repandusinic acid A
TL;DR: Repandusinic acid A (CAS 125516-10-1) is a chemical compound with molecular formula C41H30O28 and molecular weight 970.09235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-carboxy-3-[[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
Also Known As: Repandusinic acid A, 4-[1-carboxy-3-[[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid, 4-(1-carboxy-3-((6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo(17.3.1.04,9.010,15)tricosa-4,6,8,10,12,14-hexaen-23-yl)oxy)-3-oxoprop-1-en-2-yl)-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid, beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4-(4-hydrogen 2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate) 1-(3,4,5-trihydroxybenzoate), stereoisomer
Technical Specifications
| Molecular Formula | C41H30O28 |
| Molecular Weight | 970.09235 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 478.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 9 |
| Exact Mass | 970.09235 Da |
| Heavy Atoms | 69 |
| Complexity | 2020.0 |
| SMILES | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C(=CC(=O)O)C6C(OC(=O)C7=CC(=C(C(=C67)O)O)O)C(=O)O |
| InChIKey | WUTXIOAKRFKQHK-UHFFFAOYSA-N |
Chemical Property Profile of Repandusinic acid A
Property Insights of Repandusinic acid A
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Repandusinic acid A. The TPSA of 478.0 Ų indicates high polarity, suggesting Repandusinic acid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Repandusinic acid A has 15 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Repandusinic acid A?
The CAS number of Repandusinic acid A is 125516-10-1.
What is the molecular formula of Repandusinic acid A?
The molecular formula of Repandusinic acid A is C41H30O28.
What is the molecular weight of Repandusinic acid A?
The molecular weight of Repandusinic acid A is 970.09235 g/mol.
Where can I buy Repandusinic acid A?
You can request a quote for Repandusinic acid A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Repandusinic acid A?
Yes, CoreyChem provides custom synthesis services for Repandusinic acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.