TL;DR: N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide (CAS 143483-81-2) is a chemical compound with molecular formula C71H110N6O20 and molecular weight 1366.7775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(19E,21E,23Z,25Z,27E,29E,31E)-33-[3,5-dihydroxy-4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
Also Known As: N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide
| Molecular Formula | C71H110N6O20 |
| Molecular Weight | 1366.7775 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 391.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Exact Mass | 1366.7775 Da |
| Heavy Atoms | 97 |
| Complexity | 2590.0 |
| SMILES | CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)CCO)O |
| InChIKey | LWUPNPHIYBKDFV-XJGHSNDRSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide. The TPSA of 391.0 Ų indicates high polarity, suggesting N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide has 14 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide is 143483-81-2.
The molecular formula of N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide is C71H110N6O20.
The molecular weight of N-hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide is 1366.7775 g/mol.
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