1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine

Catalog Number	ACM1188858
CAS	1188-85-8
Synonyms	(-)-Lecithin distearyl ether
IUPAC Name	[(2R)-2,3-Dioctadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	762.2
Molecular Formula	C44H92NO6P
Canonical SMILES	CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C44H92NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChI Key	HVVJCLFLKMGEIY-USYZEHPZSA-N
Purity	99+%
Complexity	741
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	761.66622665
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCCCC
Monoisotopic Mass	761.66622665
Physical State	Powder
Rotatable Bond Count	44
Storage Conditions	-20 °C
Topological Polar Surface Area	77 Ų

Knowledge & Learning Case Study Q&A

What is the chemical structure of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The chemical structure of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is [(2R)-2,3-dioctadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the molecular formula of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The molecular formula of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is C44H92NO6P.

What is the molecular weight of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The molecular weight of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is 762.2g/mol.

What is the Exact Mass of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The Exact Mass of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is 761.66622665.

How many heavy atoms are present in 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

There are 52 heavy atoms present in 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine.

What is the Canonical SMILES of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCCC.

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

There are 44 rotatable bonds present in 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine.

What is the XLogP3 value of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is 16.4.

What is the IUPAC Name of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is [(2R)-2,3-dioctadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the InChIKey of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine?

The InChIKey of 1,2-Di-O-octadecyl-sn-glycero-3-phosphocholine is HVVJCLFLKMGEIY-USYZEHPZSA-N.

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