Pectin(fromapple)
TL;DR: Pectin(fromapple) (CAS 124843-18-1) is a chemical compound with molecular formula C47H68O16 and molecular weight 888.45074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-35-carboxylic acid
Also Known As: Pectenotoxin 6, PECTIN(FROMAPPLE), (2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-35-carboxylic acid
Technical Specifications
| Molecular Formula | C47H68O16 |
| Molecular Weight | 888.45074 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 888.45074 Da |
| Heavy Atoms | 63 |
| Complexity | 1860.0 |
| SMILES | CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)C(=O)O)C)C)C)O |
| InChIKey | IJSPTHZVVHPQQN-UHFFFAOYSA-N |
Chemical Property Profile of Pectin(fromapple)
Property Insights of Pectin(fromapple)
The XLogP value of 3.0 indicates that Pectin(fromapple) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting Pectin(fromapple) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pectin(fromapple) has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pectin(fromapple)?
The CAS number of Pectin(fromapple) is 124843-18-1.
What is the molecular formula of Pectin(fromapple)?
The molecular formula of Pectin(fromapple) is C47H68O16.
What is the molecular weight of Pectin(fromapple)?
The molecular weight of Pectin(fromapple) is 888.45074 g/mol.
Where can I buy Pectin(fromapple)?
You can request a quote for Pectin(fromapple) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pectin(fromapple)?
Yes, CoreyChem provides custom synthesis services for Pectin(fromapple) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.