TL;DR: D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) (CAS 68966-41-6) is a chemical compound with molecular formula C24H53N3O12P2 and molecular weight 637.3104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(cyclohexanamine);[2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Fructose-1,6-diphosphate, tricyclohexyl ammonium salt, cyclohexanamine- 1,6-di-o-phosphonohex-2-ulofuranose(3:1), D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3), Cyclohexanamine--1,6-di-O-phosphonohex-2-ulofuranose (3/1), D-Fructose 1,6-bis(dihydrogen phosphate), compound with cyclohexylamine (1:3)
| Molecular Formula | C24H53N3O12P2 |
| Molecular Weight | 637.3104 g/mol |
| XLogP | 0.85 |
| Topological Polar Surface Area (TPSA) | 282.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.3104 Da |
| Heavy Atoms | 41 |
| Complexity | 474.0 |
| SMILES | C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O |
| InChIKey | AEQOOHKPTZNQCH-UHFFFAOYSA-N |
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3). The TPSA of 282.0 Ų indicates high polarity, suggesting D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) is 68966-41-6.
The molecular formula of D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) is C24H53N3O12P2.
The molecular weight of D-Fructose, 1,6-bis(dihydrogen phosphate), compd. with cyclohexanamine (1:3) is 637.3104 g/mol.
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