TL;DR: Erythromycin, sulfamate (salt) (CAS 24380-21-0) is a chemical compound with molecular formula C37H70N2O16S and molecular weight 830.4446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;sulfamic acid
Also Known As: Erythromycin sulfamate, Erythromycinsulfamate, Erythromycin, sulfamate (salt), sulfamic acid-(3r,4s,5s,6r,7r,9r,11r,12r,13s,14r)-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione(1:1)(non-preferred name), (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; sulfamic acid
| Molecular Formula | C37H70N2O16S |
| Molecular Weight | 830.4446 g/mol |
| XLogP | 0.53 |
| Topological Polar Surface Area (TPSA) | 283.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 830.4446 Da |
| Heavy Atoms | 56 |
| Complexity | 1270.0 |
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.NS(=O)(=O)O |
| InChIKey | AFMZWSYYPCLGPM-YZPBMOCRSA-N |
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythromycin, sulfamate (salt). The TPSA of 283.0 Ų indicates high polarity, suggesting Erythromycin, sulfamate (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin, sulfamate (salt) has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Erythromycin, sulfamate (salt) is 24380-21-0.
The molecular formula of Erythromycin, sulfamate (salt) is C37H70N2O16S.
The molecular weight of Erythromycin, sulfamate (salt) is 830.4446 g/mol.
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