TL;DR: Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester (CAS 155919-82-7) is a chemical compound with molecular formula C22H37Cl2N2O11P and molecular weight 606.1512 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-[2-chloroethyl-[2-chloroethylimino(diethoxy)-λ5-phosphanyl]amino]oxan-2-yl]methyl acetate
Also Known As: Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-chloroethyl-[2-chloroethylimino(diethoxy)-, 2,3,4,6-Tetra-O-acetyl-N-(2-chloroethyl)-N-[N-(2-chloroethyl)-P,P-diethoxyphosphorimidoyl]-beta-D-glucopyranosylamine
| Molecular Formula | C22H37Cl2N2O11P |
| Molecular Weight | 606.1512 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Exact Mass | 606.1512 Da |
| Heavy Atoms | 38 |
| Complexity | 853.0 |
| SMILES | CCOP(=NCCCl)(N(CCCl)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC |
| InChIKey | CXWDELGQXAJFQD-QMCAAQAGSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester. The TPSA of 148.0 Ų indicates high polarity, suggesting Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester is 155919-82-7.
The molecular formula of Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester is C22H37Cl2N2O11P.
The molecular weight of Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, diethyl ester is 606.1512 g/mol.
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