![4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid structure](/static/products/7869/78693-88-6.webp)
4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid
TL;DR: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid (CAS 78693-88-6) is a chemical compound with molecular formula C24H30N2O13 and molecular weight 554.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid
Also Known As: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid, 4-{2-[2-carboxy-5-(beta-D-glucopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethylidene}piperidine-2,6-dicarboxylic acid, 4-{2-[2-Carboxy-5-(hexopyranosyloxy)-6-hydroxy-2,3-dihydro-1H-indol-1-yl]ethylidene}piperidine-2,6-dicarboxylic acid
| Molecular Formula | C24H30N2O13 |
|---|---|
| Molecular Weight | 554.17 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.1748 |
| Heavy Atoms | 39 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 78693-88-6 |
|---|---|
| SMILES | C1C(NC(CC1=CCN2C(CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | JUCAQSGERKIQSV-UUGRZAQPSA-N |
Product Overview
4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid (CAS 78693-88-6), with molecular formula C24H30N2O13 and molecular weight 554.17 g/mol. IUPAC: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid.
Chemical Property Profile of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid
Property Insights of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid
The XLogP value of -3.8 indicates that 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid?
The CAS number of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid is 78693-88-6.
What is the molecular formula of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid?
The molecular formula of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid is C24H30N2O13.
What is the molecular weight of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid?
The molecular weight of 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid is 554.17 g/mol.
Where can I buy 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid?
You can request a quote for 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.