TL;DR: UPCMLD0ENAT0500-3809:001 (CAS 1093230-09-1) is a chemical compound with molecular formula C26H29NO12S and molecular weight 579.14105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4,5-triacetyloxy-6-[3-hydroxy-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]phenoxy]oxan-2-yl]methyl acetate
Also Known As: UPCMLD0ENAT0500-3809:001, F0013-0941, (3R,4S,5R,6S)-2-(acetoxymethyl)-6-(3-hydroxy-4-(2-(2-methylthiazol-4-yl)acetyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate, [3,4,5-triacetyloxy-6-[3-hydroxy-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]phenoxy]oxan-2-yl]methyl acetate, [3,4,5-TRIS(ACETYLOXY)-6-{3-HYDROXY-4-[2-(2-METHYL-1,3-THIAZOL-4-YL)ACETYL]PHENOXY}OXAN-2-YL]METHYL ACETATE
| Molecular Formula | C26H29NO12S |
| Molecular Weight | 579.14105 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 579.14105 Da |
| Heavy Atoms | 40 |
| Complexity | 947.0 |
| SMILES | CC1=NC(=CS1)CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O |
| InChIKey | DHEYTJVPOXJDMJ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT0500-3809:001. The TPSA of 202.0 Ų indicates high polarity, suggesting UPCMLD0ENAT0500-3809:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT0500-3809:001 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of UPCMLD0ENAT0500-3809:001 is 1093230-09-1.
The molecular formula of UPCMLD0ENAT0500-3809:001 is C26H29NO12S.
The molecular weight of UPCMLD0ENAT0500-3809:001 is 579.14105 g/mol.
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