20-Dihydro-20-O-phenyl macrocin
TL;DR: 20-Dihydro-20-O-phenyl macrocin (CAS 91662-23-6) is a chemical compound with molecular formula C52H83NO17 and molecular weight 993.5661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
Also Known As: 20-Dihydro-20-O-phenyl macrocin, 3C-O-demethyl-20-deoxo-20-phenoxy-tylosin, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-7-(2-phenoxyethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
Technical Specifications
| Molecular Formula | C52H83NO17 |
| Molecular Weight | 993.5661 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 993.5661 Da |
| Heavy Atoms | 70 |
| Complexity | 1680.0 |
| SMILES | CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCOC4=CC=CC=C4)C)\C)COC5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O)OC)OC |
| InChIKey | XCXVEDQZWPFTRN-PBKRHZJDSA-N |
Chemical Property Profile of 20-Dihydro-20-O-phenyl macrocin
Property Insights of 20-Dihydro-20-O-phenyl macrocin
The XLogP value of 3.6 indicates that 20-Dihydro-20-O-phenyl macrocin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting 20-Dihydro-20-O-phenyl macrocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20-Dihydro-20-O-phenyl macrocin has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 20-Dihydro-20-O-phenyl macrocin?
The CAS number of 20-Dihydro-20-O-phenyl macrocin is 91662-23-6.
What is the molecular formula of 20-Dihydro-20-O-phenyl macrocin?
The molecular formula of 20-Dihydro-20-O-phenyl macrocin is C52H83NO17.
What is the molecular weight of 20-Dihydro-20-O-phenyl macrocin?
The molecular weight of 20-Dihydro-20-O-phenyl macrocin is 993.5661 g/mol.
Where can I buy 20-Dihydro-20-O-phenyl macrocin?
You can request a quote for 20-Dihydro-20-O-phenyl macrocin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 20-Dihydro-20-O-phenyl macrocin?
Yes, CoreyChem provides custom synthesis services for 20-Dihydro-20-O-phenyl macrocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.