1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine

• CAS: 7276-38-2
• Catalog Number: ACM7276382
• Category: Other Products
• Molecular Weight: 788.1
• Molecular Formula: C44H86NO8P
• Synonyms: 18:1-18:0 PC
• IUPAC Name: [(2R)-2-Octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
• InChI: InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/m1/s1
• InChI Key: NMJCSTNQFYPVOR-VHONOUADSA-N
• Complexity: 930
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 787.6091057
• Heavy Atom Count: 54
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
• Monoisotopic Mass: 787.6091057
• Physical State: Liquid
• Rotatable Bond Count: 43
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 111 Ų

Custom Q&A

What is the computed property of the Heavy Atom Count for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Heavy Atom Count for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 54.

What is the XLogP3 value for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The XLogP3 value for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 14.7.

What is the Canonical SMILES representation of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

What is the IUPAC Name of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is [(2R)-2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

What is the Molecular Formula of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Molecular Formula of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is C44H86NO8P

What is the molecular weight of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 788.1 g/mol

What are some Depositor-Supplied Synonyms for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

Some Depositor-Supplied Synonyms for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine include OSPC, PC(18:1(9Z)/18:0), GPCho(36:1), and more.

What is the InChIKey for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The InChIKey for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is NMJCSTNQFYPVOR-VHONOUADSA-N