Tuberanine
TL;DR: Tuberanine (CAS 121897-29-8) is a chemical compound with molecular formula C35H47NO12 and molecular weight 673.3098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: Tuberanine, 3-Acetylmesaconitine, Mesaconitine 3-acetate
Technical Specifications
| Molecular Formula | C35H47NO12 |
| Molecular Weight | 673.3098 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 673.3098 Da |
| Heavy Atoms | 48 |
| Complexity | 1310.0 |
| SMILES | CC(=O)O[C@@H]1C[C@@H](C23[C@H]4C[C@@]5([C@@H]([C@@H]4[C@]([C@H]([C@@H]5OC)O)(C6C2N(C[C@]1([C@H]3[C@H]6OC)COC)C)OC(=O)C)OC(=O)C7=CC=CC=C7)O)OC |
| InChIKey | ZJKIRRNNLMCMQW-KPNWVKPLSA-N |
Chemical Property Profile of Tuberanine
Property Insights of Tuberanine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tuberanine. The TPSA of 160.0 Ų indicates high polarity, suggesting Tuberanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tuberanine has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tuberanine?
The CAS number of Tuberanine is 121897-29-8.
What is the molecular formula of Tuberanine?
The molecular formula of Tuberanine is C35H47NO12.
What is the molecular weight of Tuberanine?
The molecular weight of Tuberanine is 673.3098 g/mol.
Where can I buy Tuberanine?
You can request a quote for Tuberanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tuberanine?
Yes, CoreyChem provides custom synthesis services for Tuberanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.