离子霉素
TL;DR: 离子霉素 (CAS 56092-82-1) is a chemical compound with molecular formula C41H70CaO9 and molecular weight 746.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
离子霉素
calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate
Also Known As: calcium (4R,6S,8S,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl-[2,2'-bioxolan]-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxido-11-oxodocosa-9,16-dienoate
| Molecular Formula | C41H70CaO9 |
|---|---|
| Molecular Weight | 746.46 g/mol |
| LogP | 4.8864 |
| Topological Polar Surface Area | 159.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 746.4646 |
| Heavy Atoms | 51 |
| Complexity | 1126.4222 |
Chemical Identifiers
| CAS Number | 56092-82-1 |
|---|---|
| SMILES | C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)C=C([C@H](C)C[C@H](C)CC=C[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)[O-].[Ca+2] |
Product Overview
离子霉素 (CAS 56092-82-1), with molecular formula C41H70CaO9 and molecular weight 746.46 g/mol. IUPAC: calcium (4R,6S,8S,12R,14R,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate.
Chemical Property Profile of 离子霉素
Property Insights of 离子霉素
The XLogP value of 4.8864 indicates that 离子霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.41 Ų indicates high polarity, suggesting 离子霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 离子霉素 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 离子霉素?
The CAS number of 离子霉素 is 56092-82-1.
What is the molecular formula of 离子霉素?
The molecular formula of 离子霉素 is C41H70CaO9.
What is the molecular weight of 离子霉素?
The molecular weight of 离子霉素 is 746.46 g/mol.
Where can I buy 离子霉素?
You can request a quote for 离子霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 离子霉素?
Yes, KEHONG BIO provides custom synthesis services for 离子霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.