3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
TL;DR: 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide (CAS 3253-62-1) 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-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-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: Convallatoxol, Perconval, Mannopyranoside, strophanthidol-3 6-deoxy-, alpha-L-, 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide, 3-[(6-Deoxyhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
| Molecular Formula | C29H44O10 |
|---|---|
| Molecular Weight | 552.29 g/mol |
| LogP | -0.6 |
| 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 | 3253-62-1 |
|---|---|
| SMILES | CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)O |
| InChIKey | UQEKVLJMBGSQGS-TXWZKFBRSA-N |
Product Overview
3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide (CAS 3253-62-1), with molecular formula C29H44O10 and molecular weight 552.29 g/mol. IUPAC: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-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-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
Property Insights of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
The XLogP value of -0.6 indicates that 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-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-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-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-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide?
The CAS number of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide is 3253-62-1.
What is the molecular formula of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide?
The molecular formula of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide is C29H44O10.
What is the molecular weight of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide?
The molecular weight of 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide is 552.29 g/mol.
Where can I buy 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide?
You can request a quote for 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-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-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.