3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
TL;DR: 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside (CAS 136345-76-1) is a chemical compound with molecular formula C40H58ClNO29 and molecular weight 1051.2783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4aR,6R,7R,8R,8aS)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]propan-2-one
Also Known As: 3KB-Cnpg5, 3KB-Cnp-beta-G5, 3KB-G5CNP, 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside, 2-Chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside
Technical Specifications
| Molecular Formula | C40H58ClNO29 |
| Molecular Weight | 1051.2783 g/mol |
| XLogP | -8.2 |
| Topological Polar Surface Area (TPSA) | 457.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 16 |
| Exact Mass | 1051.2783 Da |
| Heavy Atoms | 71 |
| Complexity | 1730.0 |
| SMILES | CC(=O)CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)OC7=C(C=C(C=C7)[N+](=O)[O-])Cl)CO)CO)CO)CO)O)O |
| InChIKey | XOPIENHSVNOKRX-RZXBMSGGSA-N |
Chemical Property Profile of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
Property Insights of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
The XLogP value of -8.2 indicates that 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 457.0 Ų indicates high polarity, suggesting 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside has 14 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside?
The CAS number of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside is 136345-76-1.
What is the molecular formula of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside?
The molecular formula of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside is C40H58ClNO29.
What is the molecular weight of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside?
The molecular weight of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside is 1051.2783 g/mol.
Where can I buy 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside?
You can request a quote for 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside?
Yes, CoreyChem provides custom synthesis services for 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.