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CONTACT US| Catalog Number | ACM59403542-1 |
| CAS | 59403-54-2 |
| Structure |  |
| Synonyms | 1-Hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine |
| IUPAC Name | [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Weight | 806.1 |
| Molecular Formula | C46H80NO8P |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC |
| InChI | InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1 |
| InChI Key | IESVDEZGAHUQJU-ZLBXKVHBSA-N |
| Purity | 99%+ |
| Complexity | 1180 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 805.56215551 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| Monoisotopic Mass | 805.56215551 |
| Physical State | Liquid |
| Rotatable Bond Count | 40 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 111 Ų |
What is the chemical formula of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The chemical formula is C46H80NO8P.
What is the molecular weight of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The molecular weight is 806.1g/mol.
How many covalently-bonded units are in 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
There is 1 covalently-bonded unit.
What is the CAS number of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The CAS number is 59403-54-2.
How many hydrogen bond acceptors are there in 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
There are 8 hydrogen bond acceptors.
What is the Canonical SMILES representation of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.
Is 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine a choline phospholipid?
Yes, it is a choline phospholipid.
What is the IUPAC name of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The IUPAC name is [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
How many heavy atoms are present in 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
There are 56 heavy atoms.
What is the mono-isotopic mass of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine?
The mono-isotopic mass is 805.56215551.
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