cucurbitacin R 2,25-diglucoside
TL;DR: cucurbitacin R 2,25-diglucoside (CAS 93206-91-8) is a chemical compound with molecular formula C42H66O17 and molecular weight 842.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: DHCDG, CU-R-Di-Glc, Cucurbitacin R 2,25-diglucoside, Dihydrocucurbitacin D diglucoside, KST-1A8993
| Molecular Formula | C42H66O17 |
|---|---|
| Molecular Weight | 842.43 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 842.43 |
| Heavy Atoms | 59 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 93206-91-8 |
|---|---|
| SMILES | C[C@@]12C[C@@H]([C@@H]([C@]1(CC(=O)[C@]3([C@@H]2CC=C4[C@@H]3C[C@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)CCC(C)(C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O |
| InChIKey | OUMSLBLPSFMZJW-MMERYATKSA-N |
Product Overview
cucurbitacin R 2,25-diglucoside (CAS 93206-91-8), with molecular formula C42H66O17 and molecular weight 842.43 g/mol. IUPAC: (2R,8R,9S,10S,13R,14S,16S,17R)-16-hydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of cucurbitacin R 2,25-diglucoside
Property Insights of cucurbitacin R 2,25-diglucoside
The XLogP value of -1.1 indicates that cucurbitacin R 2,25-diglucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting cucurbitacin R 2,25-diglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cucurbitacin R 2,25-diglucoside has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cucurbitacin R 2,25-diglucoside?
The CAS number of cucurbitacin R 2,25-diglucoside is 93206-91-8.
What is the molecular formula of cucurbitacin R 2,25-diglucoside?
The molecular formula of cucurbitacin R 2,25-diglucoside is C42H66O17.
What is the molecular weight of cucurbitacin R 2,25-diglucoside?
The molecular weight of cucurbitacin R 2,25-diglucoside is 842.43 g/mol.
Where can I buy cucurbitacin R 2,25-diglucoside?
You can request a quote for cucurbitacin R 2,25-diglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cucurbitacin R 2,25-diglucoside?
Yes, KEHONG BIO provides custom synthesis services for cucurbitacin R 2,25-diglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.