TL;DR: RefChem:1100603 (CAS 101512-91-8) is a chemical compound with molecular formula C33H55NO10 and molecular weight 625.38257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(1-hydroxypropyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: Tylonolide, 14-de(hydroxymethyl)-5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-14-(1-hydroxypropyl)-, (14(S))-, 2-[(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(1-hydroxypropyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
| Molecular Formula | C33H55NO10 |
| Molecular Weight | 625.38257 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 625.38257 Da |
| Heavy Atoms | 44 |
| Complexity | 999.0 |
| SMILES | CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)\C)C(CC)O |
| InChIKey | AMJFTYAWQZPVCL-MKOTVRJLSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1100603. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:1100603 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1100603 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:1100603 is 101512-91-8.
The molecular formula of RefChem:1100603 is C33H55NO10.
The molecular weight of RefChem:1100603 is 625.38257 g/mol.
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