TL;DR: D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxooctyl)oxy)tetradecanoate), (2(R),3(R))- (CAS 125034-34-6) is a chemical compound with molecular formula C42H80NO13P and molecular weight 837.53674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3S)-3-octanoyloxytetradecanoate
Also Known As: D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxooctyl)oxy)tetradecanoate), (2(R),3(R))-, [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl] (3S)-3-octanoyloxytetradecanoate, [(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl] (3S)-3-octanoyloxytetradecanoate, 2-Deoxy-2-[(3R)-3-hydroxytetradecanamido]-3-O-[(3S)-3-(octanoyloxy)tetradecanoyl]-4-O-phosphono-beta-D-glucopyranose, D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxooctyl)oxy]tetradecanoate], [2(R),3(R)]-
| Molecular Formula | C42H80NO13P |
| Molecular Weight | 837.53674 g/mol |
| XLogP | 10.3 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 38 |
| Exact Mass | 837.53674 Da |
| Heavy Atoms | 57 |
| Complexity | 1090.0 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCC)O |
| InChIKey | OOOBCVMQPSASMS-SBVZNWFOSA-N |
The XLogP value of 10.3 indicates that D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxooctyl)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-oxooctyl)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-oxooctyl)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-oxooctyl)oxy)tetradecanoate), (2(R),3(R))- is 125034-34-6.
The molecular formula of D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxooctyl)oxy)tetradecanoate), (2(R),3(R))- is C42H80NO13P.
The molecular weight of D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxooctyl)oxy)tetradecanoate), (2(R),3(R))- is 837.53674 g/mol.
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