TL;DR: dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate (CAS 17977-66-1) is a chemical compound with molecular formula C40H78O6 and molecular weight 654.57983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate
Also Known As: Dioctadecyl (R(R*,R*))-tartrate, Dioctadecyl [R(R*,R*)]-tartrate, dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate, dioctadecyl 2,3-dihydroxybutanedioate, dioctadecyl(2r,3r)-2,3-dihydroxybutanedioate
| Molecular Formula | C40H78O6 |
| Molecular Weight | 654.57983 g/mol |
| XLogP | 16.6 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 39 |
| Exact Mass | 654.57983 Da |
| Heavy Atoms | 46 |
| Complexity | 585.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]([C@H](C(=O)OCCCCCCCCCCCCCCCCCC)O)O |
| InChIKey | RYGCHSSZXHQCEJ-XPSQVAKYSA-N |
The XLogP value of 16.6 indicates that dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate. Following Lipinski's Rule of Five, dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate is 17977-66-1.
The molecular formula of dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate is C40H78O6.
The molecular weight of dioctadecyl (2R,3R)-2,3-dihydroxybutanedioate is 654.57983 g/mol.
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