TL;DR: S-D-Dithiomandeloylglutathione (CAS 140234-19-1) is a chemical compound with molecular formula C18H23N3O7S2 and molecular weight 457.09775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxy-2-phenylethanethioyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Sddtmg, S-D-Dithiomandeloylglutathione, (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxy-2-phenylethanethioyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, (4S)-4-Amino-5-{[(2R)-1-[(carboxymethyl)imino]-1-hydroxy-3-{[(2R)-2-hydroxy-2-phenylethanethioyl]sulfanyl}propan-2-yl]imino}-5-hydroxypentanoic acid, 4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-hydroxy-2-phenylethanethioyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid
| Molecular Formula | C18H23N3O7S2 |
| Molecular Weight | 457.09775 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 457.09775 Da |
| Heavy Atoms | 30 |
| Complexity | 641.0 |
| SMILES | C1=CC=C(C=C1)[C@H](C(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O |
| InChIKey | SLZDZGFRJOKHIL-SLEUVZQESA-N |
The XLogP value of -2.7 indicates that S-D-Dithiomandeloylglutathione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting S-D-Dithiomandeloylglutathione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-D-Dithiomandeloylglutathione has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of S-D-Dithiomandeloylglutathione is 140234-19-1.
The molecular formula of S-D-Dithiomandeloylglutathione is C18H23N3O7S2.
The molecular weight of S-D-Dithiomandeloylglutathione is 457.09775 g/mol.
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