3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide
TL;DR: 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide (CAS 18531-44-7) is a chemical compound with molecular formula C29H44O10 and molecular weight 552.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Periplogenin-D-glucosid, Periplogenin-beta-d-glucoside, Periplogenin-D-glucosid [German], 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide, 5,14-Dihydroxy-3-beta-((D-glucopyranosyl)oxy)-5-beta-card-20(22)-enolide
| Molecular Formula | C29H44O10 |
|---|---|
| Molecular Weight | 552.29 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.29346 |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 18531-44-7 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O)C)O |
| InChIKey | FECZMYDDHKVQIA-UGUGHJNJSA-N |
Product Overview
3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide (CAS 18531-44-7), with molecular formula C29H44O10 and molecular weight 552.29 g/mol. IUPAC: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide
Property Insights of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide
The XLogP value of -0.4 indicates that 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide?
The CAS number of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide is 18531-44-7.
What is the molecular formula of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide?
The molecular formula of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide is C29H44O10.
What is the molecular weight of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide?
The molecular weight of 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide is 552.29 g/mol.
Where can I buy 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide?
You can request a quote for 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexopyranosyloxy)-5,14-dihydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.