20-Deoxo-20-dipropylaminodesmycosin
TL;DR: 20-Deoxo-20-dipropylaminodesmycosin (CAS 115498-32-3) is a chemical compound with molecular formula C45H80N2O13 and molecular weight 856.56604 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,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(dipropylamino)ethyl]-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Also Known As: 20-Deoxo-20-dipropylaminodesmycosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(dipropylamino)-tylosin, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[2-(dipropylamino)ethyl]-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(dipropylamino)ethyl]-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione, 4A-O-de(2,6-dideoxy-3-C-methyl-.alpha.-L-ribo-hexopyranosyl)-20-deoxo-20-(dipropylamino)-tylosin
Technical Specifications
| Molecular Formula | C45H80N2O13 |
| Molecular Weight | 856.56604 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 856.56604 Da |
| Heavy Atoms | 60 |
| Complexity | 1340.0 |
| SMILES | CCCN(CCC)CC[C@H]1C[C@H](C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O)N(C)C)O)C)O)CC)COC3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)/C)C |
| InChIKey | NDSOHKSDNXOJKK-UBVYWUEUSA-N |
Chemical Property Profile of 20-Deoxo-20-dipropylaminodesmycosin
Property Insights of 20-Deoxo-20-dipropylaminodesmycosin
The XLogP value of 3.7 indicates that 20-Deoxo-20-dipropylaminodesmycosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting 20-Deoxo-20-dipropylaminodesmycosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20-Deoxo-20-dipropylaminodesmycosin has 4 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 20-Deoxo-20-dipropylaminodesmycosin?
The CAS number of 20-Deoxo-20-dipropylaminodesmycosin is 115498-32-3.
What is the molecular formula of 20-Deoxo-20-dipropylaminodesmycosin?
The molecular formula of 20-Deoxo-20-dipropylaminodesmycosin is C45H80N2O13.
What is the molecular weight of 20-Deoxo-20-dipropylaminodesmycosin?
The molecular weight of 20-Deoxo-20-dipropylaminodesmycosin is 856.56604 g/mol.
Where can I buy 20-Deoxo-20-dipropylaminodesmycosin?
You can request a quote for 20-Deoxo-20-dipropylaminodesmycosin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 20-Deoxo-20-dipropylaminodesmycosin?
Yes, CoreyChem provides custom synthesis services for 20-Deoxo-20-dipropylaminodesmycosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.