Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-
TL;DR: Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- (CAS 155510-73-9) is a chemical compound with molecular formula C46H74O20 and molecular weight 946.47736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (E,5R,6S)-5-hydroxy-6-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylhept-2-enoate
Also Known As: Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-, Ergosta-5,24-dien-26-oic acid, 3-(I(2)-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl ester, (1I+/-,3I(2),22R,24E)-
Technical Specifications
| Molecular Formula | C46H74O20 |
| Molecular Weight | 946.47736 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 335.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 946.47736 Da |
| Heavy Atoms | 66 |
| Complexity | 1750.0 |
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)[C@@H](C/C(=C(\C)/C(=O)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 |
| InChIKey | SLKLMANSFWXKFP-MJBZCTIUSA-N |
Chemical Property Profile of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-
Property Insights of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-. The TPSA of 335.0 Ų indicates high polarity, suggesting Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- has 13 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-?
The CAS number of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- is 155510-73-9.
What is the molecular formula of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-?
The molecular formula of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- is C46H74O20.
What is the molecular weight of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-?
The molecular weight of Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- is 946.47736 g/mol.
Where can I buy Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-?
You can request a quote for Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)-?
Yes, CoreyChem provides custom synthesis services for Ergosta-5,24-dien-26-oic acid, 3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-, 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (1alpha,3beta,22R,24E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.