Neohancoside A
TL;DR: Neohancoside A (CAS 134553-54-1) is a chemical compound with molecular formula C21H36O10 and molecular weight 448.23083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Also Known As: Neohancoside A, Linalyl primeveroside, linalyl beta-primeveroside, linaloyl beta-primerveroside, linalyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Technical Specifications
| Molecular Formula | C21H36O10 |
| Molecular Weight | 448.23083 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.23083 Da |
| Heavy Atoms | 31 |
| Complexity | 609.0 |
| SMILES | CC(=CCCC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)C |
| InChIKey | OKNPZRJNRSGKME-XEGIVNTOSA-N |
Chemical Property Profile of Neohancoside A
Property Insights of Neohancoside A
The XLogP value of -0.9 indicates that Neohancoside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Neohancoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neohancoside A has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neohancoside A?
The CAS number of Neohancoside A is 134553-54-1.
What is the molecular formula of Neohancoside A?
The molecular formula of Neohancoside A is C21H36O10.
What is the molecular weight of Neohancoside A?
The molecular weight of Neohancoside A is 448.23083 g/mol.
Where can I buy Neohancoside A?
You can request a quote for Neohancoside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neohancoside A?
Yes, CoreyChem provides custom synthesis services for Neohancoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.