1,2-Dihexadecyl-R-glycero-3-phosphocholine | SSHADE

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Molecule

Name: 1,2-Dihexadecyl-R-glycero-3-phosphocholine

Name and identifiers

IUPAC name: R-2-[2,3-dihexadecoxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
InChI: InChI=1S/C40H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChI key: MWTIGLPPQBNUFP-RRHRGVEJSA-N

Structure and atomic composition

Formula: R- $(CH_3)_3NC_2H_4OPO_3CH_2C(OC_{15}H_{30}CH_3)CH_2OC_{15}H_{30}CH_3$
Chemical formula: (CH3)3(N+)C2H4PO3(O-)OCH2C(OC16H33)CH2OC16H33
Structural formula: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](COCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$C$	Carbon	40
	$H$	Hydrogen	84
	$O$	Oxygen	5
	$O^-$	Oxide anion	1
	$N^+$	Nitrogen cation	1
	$P$	Phosphorus	1

Stereodescriptor

R

Relations

enantiomer

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: equilibrated

Molar mass: 706.07 $g/mol$
State STP: solid
Protic: protic
Polarity: amphiphilic

Fundamental vibration modes

Molecule symmetry: no
Case: complex

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-CH_3$	3
	$R-CH_2-CH_3$	2
	$R-O-R$	2
	$ROP=(O)(OH)_2$	1

Chemical bonds

	Bond	Number
	$\geq C-C \leq$	33
	$\geq C-H$	84
	$\geq C-N^+\leq$	4
	$\geq C-O-$	6
	$P=O$	1
	$=P-O-$	2
	$=P-O^-$	1