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

• CAS: 39036-04-9
• Catalog Number: ACM39036049
• Category: Other Products
• Molecular Weight: 351.46
• Molecular Formula: C17H38NO4P
• Synonyms: Fos-Choline12; FOS12
• IUPAC Name: [(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• Canonical SMILES: CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
• InChI: InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m1/s1
• InChI Key: RBFSPQDASPEAID-HXUWFJFHSA-N
• Appearance: Powder
• Complexity: 556
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 481.28045436
• Formal Charge: 0
• Heavy Atom Count: 32
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
• Monoisotopic Mass: 481.28045436
• Physical State: Powder
• Rotatable Bond Count: 22
• Stability: 1 Year
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 111 Ų
• XLogP3-AA: 3.7

Custom Q&A

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

The CAS number of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 39036-04-9.

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

There are 32 heavy atoms in the molecular formula of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

What is the formal charge of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

The formal charge of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 0.

How many rotatable bonds are present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

There are 22 rotatable bonds present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

What is the IUPAC name of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is [(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptors are present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptors present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

What is the topological polar surface area of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

The topological polar surface area of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 111.

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

The molecular weight of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 481.6g/mol.

Provide another name or synonym for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

Another name for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is Diheptanoyllecithin.