1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine

• CAS: 26662-94-2
• Catalog Number: ACM26662942
• Category: Other Products
• Molecular Weight: 718
• Molecular Formula: C39H76NO8P
• Synonyms: POPE (16:0/18:1)
• IUPAC Name: [(2R)-1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
• SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
• InChI: InChI=1S/C39H76NO8P/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/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
• InChI Key: FHQVHHIBKUMWTI-OTMQOFQLSA-N
• Complexity: 825
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 717.53085538
• 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\CCCCCCCC
• Monoisotopic Mass: 717.53085538
• Physical State: Solid
• Rotatable Bond Count: 40
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 134 Ų

Custom Q&A

What is the CAS number of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The CAS number is 26662-94-2.

What is the molecular formula of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The molecular formula is C39H76NO8P.

What is the exact mass of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The exact mass is 717.53085538.

How many heavy atoms are present in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

There are 49 heavy atoms.

How many rotatable bonds are present in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

There are 40 rotatable bonds.

What is the IUPAC name of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The IUPAC name is [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate.

How many hydrogen bond acceptors are present in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

There are 9 hydrogen bond acceptors.

What is the Canonical SMILES of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC.

What is the Monoisotopic Mass of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The Monoisotopic Mass is 717.53085538.

What is the name of the compound that is commonly used as a synonym for 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine?

The compound is also known as POPE.