Glycyrrhizin deriv.
TL;DR: Glycyrrhizin deriv. (CAS 134250-16-1) is a chemical compound with molecular formula C42H70O13 and molecular weight 782.4816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-14-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Glycyrrhizin deriv., Oleanane, .beta.-D-glucopyranoside deriv., 18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside, beta-D-Glucopyranoside, (3b,20b)-11,29-dihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-, 11,29-Dihydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranoside
Technical Specifications
| Molecular Formula | C42H70O13 |
| Molecular Weight | 782.4816 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 782.4816 Da |
| Heavy Atoms | 55 |
| Complexity | 1440.0 |
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC([C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)(C)CO |
| InChIKey | CGWSUZFSADHCPF-LZILMHEWSA-N |
Chemical Property Profile of Glycyrrhizin deriv.
Property Insights of Glycyrrhizin deriv.
The XLogP value of 3.3 indicates that Glycyrrhizin deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting Glycyrrhizin deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyrrhizin deriv. has 9 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 Glycyrrhizin deriv.?
The CAS number of Glycyrrhizin deriv. is 134250-16-1.
What is the molecular formula of Glycyrrhizin deriv.?
The molecular formula of Glycyrrhizin deriv. is C42H70O13.
What is the molecular weight of Glycyrrhizin deriv.?
The molecular weight of Glycyrrhizin deriv. is 782.4816 g/mol.
Where can I buy Glycyrrhizin deriv.?
You can request a quote for Glycyrrhizin deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Glycyrrhizin deriv.?
Yes, CoreyChem provides custom synthesis services for Glycyrrhizin deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.