TL;DR: 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide (CAS 155919-84-9) is a chemical compound with molecular formula C18H28N3O10P and molecular weight 477.15125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[bis(aziridin-1-yl)phosphorylamino]oxan-2-yl]methyl acetate
Also Known As: 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide, Phosphinic amide, P,P-bis(1-aziridinyl)-N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, P,P-Bis(1-aziridinyl)-N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)phosphinic amide, 2,3,4,6-Tetra-O-acetyl-N-[bis(aziridin-1-yl)phosphoryl]-beta-D-glucopyranosylamine, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[bis(aziridin-1-yl)phosphorylamino]oxan-2-yl]methyl acetate
| Molecular Formula | C18H28N3O10P |
| Molecular Weight | 477.15125 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 477.15125 Da |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NP(=O)(N2CC2)N3CC3)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | DJTZQTMPNDHQIR-UYTYNIKBSA-N |
The XLogP value of -1.2 indicates that 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide is 155919-84-9.
The molecular formula of 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide is C18H28N3O10P.
The molecular weight of 2,3,4,6-Tetraacetyl-1-beta-D-glucosaminophosphoric acid diethylenimide is 477.15125 g/mol.
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