Deacylgymnemic acid
TL;DR: Deacylgymnemic acid (CAS 121686-42-8) is a chemical compound with molecular formula C36H58O12 and molecular weight 682.3928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Deacylgymnemic acid, DEACYLGYMNEMICACID, 3-O-beta-D-Glucuronopyranosyl gymnemagenin, (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, 16,21,22,23,28-Pentahydroxyolean-12-en-3-yl hexopyranosiduronic acid
Technical Specifications
| Molecular Formula | C36H58O12 |
| Molecular Weight | 682.3928 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 682.3928 Da |
| Heavy Atoms | 48 |
| Complexity | 1310.0 |
| SMILES | C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC([C@@H]([C@H]5O)O)(C)C)CO)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
| InChIKey | NXUZSZLFZAMZLC-BNLARJOSSA-N |
Chemical Property Profile of Deacylgymnemic acid
Property Insights of Deacylgymnemic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacylgymnemic acid. The TPSA of 218.0 Ų indicates high polarity, suggesting Deacylgymnemic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacylgymnemic acid has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Deacylgymnemic acid?
The CAS number of Deacylgymnemic acid is 121686-42-8.
What is the molecular formula of Deacylgymnemic acid?
The molecular formula of Deacylgymnemic acid is C36H58O12.
What is the molecular weight of Deacylgymnemic acid?
The molecular weight of Deacylgymnemic acid is 682.3928 g/mol.
Where can I buy Deacylgymnemic acid?
You can request a quote for Deacylgymnemic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deacylgymnemic acid?
Yes, CoreyChem provides custom synthesis services for Deacylgymnemic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.