TL;DR: D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- (CAS 125056-31-7) is a chemical compound with molecular formula C49H94NO13P and molecular weight 935.6463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] pentadecanoate
Also Known As: D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))-, [(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] pentadecanoate, [(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-oxo-ethyl]dodecyl] pentadecanoate, 2-Deoxy-2-[(3R)-3-hydroxytetradecanamido]-3-O-[(3R)-3-(pentadecanoyloxy)tetradecanoyl]-4-O-phosphono-beta-D-glucopyranose, D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxopentadecyl)oxy]tetradecanoate], [2(R),3(R)]-
| Molecular Formula | C49H94NO13P |
| Molecular Weight | 935.6463 g/mol |
| XLogP | 14.0 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 45 |
| Exact Mass | 935.6463 Da |
| Heavy Atoms | 64 |
| Complexity | 1210.0 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)O)NC(=O)C[C@@H](CCCCCCCCCCC)O |
| InChIKey | PWSNRBFUCXJKEV-FOODAVFPSA-N |
The XLogP value of 14.0 indicates that D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- is 125056-31-7.
The molecular formula of D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- is C49H94NO13P.
The molecular weight of D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxopentadecyl)oxy)tetradecanoate), (2(R),3(R))- is 935.6463 g/mol.
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