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CONTACT US| Catalog Number | ACM70812598 |
| CAS | 70812-59-8 |
| Synonyms | 16:0-20:4 PE |
| IUPAC Name | 2-Azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] phosphate |
| Molecular Weight | 740 |
| Molecular Formula | C41H74NO8P |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
| InChI | InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,39H,3-10,12,14-16,19,21,23-25,27,29-38,42H2,1-2H3,(H,45,46)/b13-11-,18-17-,22-20-,28-26-/t39-/m1/s1 |
| InChI Key | DRIVXEVMDWCWLI-CAQMIEAISA-N |
| Purity | 99%+ |
| Complexity | 973 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 739.51520532 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
| Monoisotopic Mass | 739.51520532 |
| Physical State | Liquid |
| Rotatable Bond Count | 39 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 139 Ų |
What is the molecular formula of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The molecular formula is C41H74NO8P.
What is the exact mass of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The exact mass is 739.51520532.
How many heavy atoms are present in 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
There are 51 heavy atoms.
What is the CAS number of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The CAS number is 70812-59-8.
How many rotatable bonds are present in 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
There are 39 rotatable bonds.
What is the canonical SMILES representation of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The canonical SMILES is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.
How many defined bond stereocenters are present in 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
There are 4 defined bond stereocenters.
What is the IUPAC name of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The IUPAC name is 2-azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] phosphate.
How many hydrogen bond acceptors are present in 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
There are 8 hydrogen bond acceptors.
What is the InChIKey of 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine?
The InChIKey is DRIVXEVMDWCWLI-CAQMIEAISA-N.
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