TL;DR: 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol (CAS 120287-14-1) is a chemical compound with molecular formula C46H95O7P and molecular weight 790.6815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-hydroxypropyl hydrogen phosphate
Also Known As: Dpg-propanediol, 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol, 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-hydroxypropyl hydrogen phosphate, 2,3-bis[(3,7,11,15-tetramethylhexadecyl)oxy]propyl 3-hydroxypropyl hydrogen phosphate, Phosphoric acid, mono(2,3-bis((3,7,11,15-tetramethylhexadecyl)oxy)propyl) mono(3-hydroxypropyl) ester, stereoisomer
| Molecular Formula | C46H95O7P |
| Molecular Weight | 790.6815 g/mol |
| XLogP | 16.3 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 40 |
| Exact Mass | 790.6815 Da |
| Heavy Atoms | 54 |
| Complexity | 855.0 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChIKey | ZKPLWHHAZYAADO-UHFFFAOYSA-N |
The XLogP value of 16.3 indicates that 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol. Following Lipinski's Rule of Five, 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol is 120287-14-1.
The molecular formula of 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol is C46H95O7P.
The molecular weight of 2,3-Diphytanyl-sn-glycerol-1-phospho-1'-1',3'-propanediol is 790.6815 g/mol.
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