Triptonine A
TL;DR: Triptonine A (CAS 168009-84-5) is a chemical compound with molecular formula C45H55NO21 and molecular weight 945.32666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(1S,2R,3R,4R,7S,11R,15R,16R,17R,18S,21S,22S,32R,35S)-2,16,17,35-tetraacetyloxy-34-hydroxy-7,21,22,32,34-pentamethyl-6,10,12,20,29-pentaoxo-5,13,19,30,33-pentaoxa-24-azahexacyclo[16.15.1.14,15.01,15.03,32.023,28]pentatriaconta-23(28),24,26-trien-11-yl]acetate
Also Known As: Triptonine A, methyl 2-(tetraacetoxy-hydroxy-pentamethyl-pentaoxo-[?]yl)acetate
Technical Specifications
| Molecular Formula | C45H55NO21 |
| Molecular Weight | 945.32666 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 296.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 945.32666 Da |
| Heavy Atoms | 67 |
| Complexity | 2060.0 |
| SMILES | C[C@H]1CCC(=O)[C@H](C(=O)OC[C@]23[C@@H]([C@@H]([C@@H]4[C@H]([C@]25C([C@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)[C@H]([C@@H](C6=C(C=CC=N6)C(=O)OC[C@@]4(O5)C)C)C)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC |
| InChIKey | GHLDKPNDMMVFDQ-JXFXLGSKSA-N |
Chemical Property Profile of Triptonine A
Property Insights of Triptonine A
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triptonine A. The TPSA of 296.0 Ų indicates high polarity, suggesting Triptonine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triptonine A has 1 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Triptonine A?
The CAS number of Triptonine A is 168009-84-5.
What is the molecular formula of Triptonine A?
The molecular formula of Triptonine A is C45H55NO21.
What is the molecular weight of Triptonine A?
The molecular weight of Triptonine A is 945.32666 g/mol.
Where can I buy Triptonine A?
You can request a quote for Triptonine A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triptonine A?
Yes, CoreyChem provides custom synthesis services for Triptonine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.