2-Oleoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM22248653
CAS	22248-65-3
Structure
Synonyms	(7R,17Z)-4-Hydroxy-7-(hydroxyMethyl)-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacos-17-en-1-aminium 4-oxide
IUPAC Name	[(2R)-3-Hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	521.7
Molecular Formula	C26H52NO7P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChI Key	SULIDBRAXVDKBU-PTGWMXDISA-N
Purity	99%+
Complexity	585
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	521.34814
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass	521.34814
Physical State	Liquid
Rotatable Bond Count	25
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The CAS number is 26853-31-6.

How many heavy atoms are present in the molecular structure of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

There are 52 heavy atoms.

What is the molecular weight of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

The molecular weight is 760.1g/mol.

How many rotatable bonds are present in the structure of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

There are 41 rotatable bonds.

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

The IUPAC name is [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptors are present in the structure of 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptors.

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

The Canonical SMILES is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.

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

The Monoisotopic Mass is 759.57780557.

How many Covalently-Bonded Unit Counts are there in 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

There is 1 Covalently-Bonded Unit Count.

What are some synonyms for 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine?

Some synonyms include POPC, Palmitoyloleoylphosphatidylcholine, and PC(16:0/18:1(9Z)).

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2-Oleoyl-sn-glycero-3-phosphocholine (22248-65-3)

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