5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide
TL;DR: 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide (CAS 15596-26-6) is a chemical compound with molecular formula C28H40O10 and molecular weight 536.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Strophanthidin-D-xylose, Strophanthidin-beta-d-xyloside, Strophanthidin arabinoside, 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide, 5,14-Dihydroxy-3-beta-((D-xylopyranosyl)oxy)-19-oxo-5-beta-card-20(22)-enolide
| Molecular Formula | C28H40O10 |
|---|---|
| Molecular Weight | 536.26 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.26215 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 15596-26-6 |
|---|---|
| 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](CO6)O)O)O)C=O)O |
| InChIKey | XMNREHIXCIWCGI-IOELUSJZSA-N |
Product Overview
5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide (CAS 15596-26-6), with molecular formula C28H40O10 and molecular weight 536.26 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide
Property Insights of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide
The XLogP value of -0.9 indicates that 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide has 5 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 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide?
The CAS number of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide is 15596-26-6.
What is the molecular formula of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide?
The molecular formula of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide is C28H40O10.
What is the molecular weight of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide?
The molecular weight of 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide is 536.26 g/mol.
Where can I buy 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide?
You can request a quote for 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-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 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 5,14-Dihydroxy-19-oxo-3-(pentopyranosyloxy)card-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.