1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine
TL;DR: 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine (CAS 123284-81-1) is a chemical compound with molecular formula C49H74NO8P and molecular weight 835.5152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Also Known As: GPEtn(44:12), GPEtn(22:6/22:6), Phophatidylethanolamine(44:12), 1,2-Docosahexanoyl-sn-glycero-3-phosphoethanolamine, GPEtn(22:6n3/22:6n3)
Technical Specifications
| Molecular Formula | C49H74NO8P |
| Molecular Weight | 835.5152 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 39 |
| Exact Mass | 835.5152 Da |
| Heavy Atoms | 59 |
| Complexity | 1460.0 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChIKey | RBDNSJMXMWTPCS-NYUVKXDYSA-N |
Chemical Property Profile of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine
Property Insights of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine
The XLogP value of 8.4 indicates that 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine. Following Lipinski's Rule of Five, 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine?
The CAS number of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine is 123284-81-1.
What is the molecular formula of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine?
The molecular formula of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine is C49H74NO8P.
What is the molecular weight of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine?
The molecular weight of 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine is 835.5152 g/mol.
Where can I buy 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine?
You can request a quote for 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine?
Yes, CoreyChem provides custom synthesis services for 1,2-Didocosahexaenoyl-sn-glycero-3-phosphoethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.