2-Oleoyl-sn-glycero-3-phosphocholine

• Catalog Number: ACM22248653
• Product Name: 2-Oleoyl-sn-glycero-3-phosphocholine
• CAS: 22248-65-3
• Category: Heterocyclic Organic Compound
• 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
• Complexity: 585
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 521.34814
• H-Bond Acceptor: 7
• H-Bond Donor: 1
• 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

Custom 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)).