Neocomplanoside
TL;DR: Neocomplanoside (CAS 123442-25-1) is a chemical compound with molecular formula C24H24O12 and molecular weight 504.12677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: Neocomplanoside, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate, 4H-1-Benzopyran-4-one, 3-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl)oxyoxan-2-yl)methyl acetate, 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-O-acetyl-beta-D-glucopyranoside
Technical Specifications
| Molecular Formula | C24H24O12 |
| Molecular Weight | 504.12677 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.12677 Da |
| Heavy Atoms | 36 |
| Complexity | 837.0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O |
| InChIKey | DDGCBCUITQFEFG-ZTHZTRLZSA-N |
Chemical Property Profile of Neocomplanoside
Property Insights of Neocomplanoside
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neocomplanoside. The TPSA of 181.0 Ų indicates high polarity, suggesting Neocomplanoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neocomplanoside has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neocomplanoside?
The CAS number of Neocomplanoside is 123442-25-1.
What is the molecular formula of Neocomplanoside?
The molecular formula of Neocomplanoside is C24H24O12.
What is the molecular weight of Neocomplanoside?
The molecular weight of Neocomplanoside is 504.12677 g/mol.
Where can I buy Neocomplanoside?
You can request a quote for Neocomplanoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neocomplanoside?
Yes, CoreyChem provides custom synthesis services for Neocomplanoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.