Actinorhodin
TL;DR: Actinorhodin (CAS 1397-77-9) is a chemical compound with molecular formula C32H26O14 and molecular weight 634.13226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[8-[3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Actinorhodin, Actinorhodine, 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,10-dihydroxy-1-met, (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',5,5',10,10'-octahydro-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-, (1R,1'R,3S,3'S)-, 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Technical Specifications
| Molecular Formula | C32H26O14 |
| Molecular Weight | 634.13226 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.13226 Da |
| Heavy Atoms | 46 |
| Complexity | 1520.0 |
| SMILES | CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C(=CC3=O)C4=CC(=C5C(=C4O)C(=C6C(OC(CC6=C5O)CC(=O)O)C)O)O |
| InChIKey | MGFJRQUGYNFFDQ-UHFFFAOYSA-N |
Chemical Property Profile of Actinorhodin
Property Insights of Actinorhodin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinorhodin. The TPSA of 242.0 Ų indicates high polarity, suggesting Actinorhodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinorhodin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Actinorhodin?
The CAS number of Actinorhodin is 1397-77-9.
What is the molecular formula of Actinorhodin?
The molecular formula of Actinorhodin is C32H26O14.
What is the molecular weight of Actinorhodin?
The molecular weight of Actinorhodin is 634.13226 g/mol.
Where can I buy Actinorhodin?
You can request a quote for Actinorhodin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Actinorhodin?
Yes, CoreyChem provides custom synthesis services for Actinorhodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.