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| IUPAC Name: | trisodium2-[4,7-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate |
| Description: | DO3A is a macrocyclic chelating agent that can be used as a luminescent sensor to detect NAD(P)H based on Ln(III) ternary complexes. |
| Molecular Weight: | 343.35 + 3(22.99) |
| Molecular Formula: | C14H23N4O6·3(Na) |
| Canonical SMILES: | C1CN(CCN(CCN(CCN1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+] |
| InChI: | InChI=1S/C14H26N4O6.3Na/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)/q3*+1/p-3 |
| InChI Key: | OKHVSTSMWHWVMK-UHFFFAOYSA-K |
| Melting Point: | >253°C (dec.) |
| Solubility: | Methanol (Slightly, Heated), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | 4°C, Inert atmosphere |
| References: | Smrcka, F., et.al., Molecules, 25, 4164, (2020); Zhou, X., et.al., Faming Zhuanli Shenqing, 14, (2020). |
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