TL;DR: Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, dimethyl ester (CAS 155919-81-6) is a chemical compound with molecular formula C20H33Cl2N2O11P and molecular weight 578.1199 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(dimethoxy)-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)-, dimethyl ester, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-chloroethyl-[2-chloroethylimino(dimethoxy)-, 2,3,4,6-Tetra-O-acetyl-N-(2-chloroethyl)-N-[N-(2-chloroethyl)-P,P-dimethoxyphosphorimidoyl]-beta-D-glucopyranosylamine
| Molecular Formula | C20H33Cl2N2O11P |
| Molecular Weight | 578.1199 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 578.1199 Da |
| Heavy Atoms | 36 |
| Complexity | 823.0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N(CCCl)P(=NCCCl)(OC)OC)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NYIGRXMRDFCIHL-OUUBHVDSSA-N |
The XLogP value of 1.2 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)-, dimethyl 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)-, dimethyl 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)-, dimethyl 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)-, dimethyl ester is 155919-81-6.
The molecular formula of Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, dimethyl ester is C20H33Cl2N2O11P.
The molecular weight of Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, dimethyl ester is 578.1199 g/mol.
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