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CONTACT US| Catalog Number | ACM26662953-1 |
| CAS | 26662-95-3 |
| Synonyms | 1-Palmitoyl-2-linoleoyl PE |
| IUPAC Name | [(2R)-1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate |
| Molecular Weight | 716 |
| Molecular Formula | C39H74NO8P |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC |
| InChI | InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1 |
| InChI Key | HBZNVZIRJWODIB-NHCUFCNUSA-N |
| Purity | 99%+ |
| Complexity | 866 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Exact Mass | 715.51520532 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Monoisotopic Mass | 715.51520532 |
| Physical State | Liquid |
| Rotatable Bond Count | 39 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 134 Ų |
What is the chemical formula of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The chemical formula is C39H74NO8P.
What is the molecular weight of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The molecular weight is 716.0g/mol.
What is the CAS number of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The CAS number is 26662-95-3.
How many heavy atoms are present in the structure of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
There are 49 heavy atoms.
What is the Canonical SMILES representation of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The Canonical SMILES is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC.
How many hydrogen bond acceptors are there in 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
There are 9 hydrogen bond acceptors.
What is the IUPAC name of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The IUPAC name is [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate.
What is the InChIKey of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
The InChIKey is HBZNVZIRJWODIB-NHCUFCNUSA-N.
How many rotatable bonds are present in the structure of 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
There are 39 rotatable bonds.
What are some of the other names or synonyms for 1-Hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine?
Some synonyms include PE(16:0/18:2), 1-Palmitoyl-2-linoleoyl PE, and Phosphatidylethanolamine(16:0/18:2omega6).
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