Neohesperidin
TL;DR: Neohesperidin (CAS 13241-33-3) is a chemical compound with molecular formula C28H34O15 and molecular weight 610.18976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Also Known As: Neohesperidin, Hesperetin 7-neohesperidoside, (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one, (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one, (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Technical Specifications
| Molecular Formula | C28H34O15 |
| Molecular Weight | 610.18976 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.18976 Da |
| Heavy Atoms | 43 |
| Complexity | 940.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O |
| InChIKey | ARGKVCXINMKCAZ-QGFYHPQASA-N |
Chemical Property Profile of Neohesperidin
Property Insights of Neohesperidin
The XLogP value of -0.5 indicates that Neohesperidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Neohesperidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neohesperidin has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neohesperidin?
The CAS number of Neohesperidin is 13241-33-3.
What is the molecular formula of Neohesperidin?
The molecular formula of Neohesperidin is C28H34O15.
What is the molecular weight of Neohesperidin?
The molecular weight of Neohesperidin is 610.18976 g/mol.
Where can I buy Neohesperidin?
You can request a quote for Neohesperidin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neohesperidin?
Yes, CoreyChem provides custom synthesis services for Neohesperidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.