![3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide structure](/static/products/1114/111420-57-6.webp)
3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide
TL;DR: 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide (CAS 111420-57-6) is a chemical compound with molecular formula C29H40O11 and molecular weight 564.2571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5S,7S,10S,11S,12R,14R,15R)-7-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-13-one
Also Known As: 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide, (8xi)-3beta-[(2-Deoxy-alpha-D-arabino-hexopyranosyl)oxy]-11beta,14-dihydroxy-12-oxo-5beta,7alpha,14xi-7,8-epoxycard-20(22)-enolide
Technical Specifications
| Molecular Formula | C29H40O11 |
| Molecular Weight | 564.2571 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.2571 Da |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
| SMILES | C[C@]12CC[C@@H](C[C@H]1C[C@@H]3C4([C@@H]2[C@H](C(=O)[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)O3)O[C@@H]7C[C@H]([C@@H]([C@H](O7)CO)O)O |
| InChIKey | NRBYBABUHKEQNM-WDVBEFSESA-N |
Chemical Property Profile of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide
Property Insights of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide
The XLogP value of -0.7 indicates that 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide?
The CAS number of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide is 111420-57-6.
What is the molecular formula of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide?
The molecular formula of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide is C29H40O11.
What is the molecular weight of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide?
The molecular weight of 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide is 564.2571 g/mol.
Where can I buy 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide?
You can request a quote for 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide?
Yes, CoreyChem provides custom synthesis services for 3-[(2-Deoxyhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.