TL;DR: Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester (CAS 115914-85-7) is a chemical compound with molecular formula C4H13NO7P2 and molecular weight 253.02321 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)(1,2-14C2)ethyl phosphono hydrogen phosphate
Also Known As: Mono(2-(dimethylamino)ethyl-14C2) diphosphate, Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester, 2-(dimethylamino)ethyl phosphono hydrogen phosphate, 2-(Dimethylamino)(~14~C_2_)ethyl trihydrogen diphosphate, DED
| Molecular Formula | C4H13NO7P2 |
| Molecular Weight | 253.02321 g/mol |
| XLogP | -4.9 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.02321 Da |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
| SMILES | CN(C)[14CH2][14CH2]OP(=O)(O)OP(=O)(O)O |
| InChIKey | QGKJQRINUQGSJM-NUQCWPJISA-N |
The XLogP value of -4.9 indicates that Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester. Following Lipinski's Rule of Five, Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester is 115914-85-7.
The molecular formula of Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester is C4H13NO7P2.
The molecular weight of Diphosphoric acid, mono(2-(dimethylamino)ethyl-14C2) ester is 253.02321 g/mol.
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