1,2-Dinonanoyl-sn-glycero-3-phosphocholine

• CAS: 27869-45-0
• Catalog Number: ACM27869450
• Category: Other Products
• Molecular Weight: 537.7
• Molecular Formula: C26H52NO8P
• Synonyms: PC(9:0/9:0)
• IUPAC Name: [(2R)-2,3-Di(nonanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• Canonical SMILES: CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
• InChI: InChI=1S/C26H52NO8P/c1-6-8-10-12-14-16-18-25(28)32-22-24(35-26(29)19-17-15-13-11-9-7-2)23-34-36(30,31)33-21-20-27(3,4)5/h24H,6-23H2,1-5H3/t24-/m1/s1
• InChI Key: CKGVBFQDYSPMSY-XMMPIXPASA-N
• Complexity: 615
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 537.34305461
• Heavy Atom Count: 36
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
• Monoisotopic Mass: 537.34305461
• Physical State: Powder
• Rotatable Bond Count: 26
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 111 Ų

Custom Q&A

What is the CAS number of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The CAS number of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine is 27869-45-0.

How many heavy atoms are present in the molecular formula of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine contains 36 heavy atoms.

What is the XLogP3 value of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine is 5.9.

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

There are 26 rotatable bonds in the structure of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine.

What is the molecular weight of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine is 537.7 g/mol.

What is the IUPAC Name of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine is [(2R)-2,3-di(nonanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptor counts are there in the computed properties of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptor counts in the computed properties of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine.

What are some of the synonyms for 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

Some synonyms for 1,2-Dinonanoyl-sn-glycero-3-phosphocholine include 3-sn-Dinonanoyllecithin, PC(9:0/9:0), and 1,2-Dinonanoylphosphatidylcholine.

What is the InChIKey of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1,2-Dinonanoyl-sn-glycero-3-phosphocholine is CKGVBFQDYSPMSY-XMMPIXPASA-N.