1-Myristoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM20559164
CAS	20559-16-4
Structure
Synonyms	14:0 LYSO PC
IUPAC Name	[(2R)-2-Hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	467.6
Molecular Formula	C22H46NO7P
Canonical SMILES	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1
InChI Key	VXUOFDJKYGDUJI-OAQYLSRUSA-N
Purity	99%+
Complexity	489
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	467.3011898
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	467.3011898
Physical State	Powder
Rotatable Bond Count	22
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1-Myristoyl-sn-glycero-3-phosphocholine?

The CAS number of 1-Myristoyl-sn-glycero-3-phosphocholine is 20559-16-4.

How many heavy atoms are present in 1-Myristoyl-sn-glycero-3-phosphocholine?

There are 31 heavy atoms present in 1-Myristoyl-sn-glycero-3-phosphocholine.

What is the molecular weight of 1-Myristoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Myristoyl-sn-glycero-3-phosphocholine is 467.6g/mol.

How many rotatable bonds are there in 1-Myristoyl-sn-glycero-3-phosphocholine?

There are 22 rotatable bonds in 1-Myristoyl-sn-glycero-3-phosphocholine.

What is the IUPAC name of 1-Myristoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1-Myristoyl-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many hydrogen bond acceptors are present in 1-Myristoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptors in 1-Myristoyl-sn-glycero-3-phosphocholine.

What is the Canonical SMILES of 1-Myristoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Myristoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

What is the Computed Properties XLogP3 value of 1-Myristoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Myristoyl-sn-glycero-3-phosphocholine is 4.5.

What is the InChIKey of 1-Myristoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Myristoyl-sn-glycero-3-phosphocholine is VXUOFDJKYGDUJI-OAQYLSRUSA-N.

What is the molecular formula of 1-Myristoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1-Myristoyl-sn-glycero-3-phosphocholine is C22H46NO7P.

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