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

Catalog Number	ACM26662942
CAS	26662-94-2
Structure
Synonyms	POPE (16:0/18:1)
IUPAC Name	[(2R)-1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
Molecular Weight	718
Molecular Formula	C39H76NO8P
Canonical 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
Purity	98%+
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

Knowledge & Learning Case Study 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.

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