1,2-dipalmitoyl-sn-glycero-3-phosphatidic acid disodium salt | SSHADE

Processing math: 61%

Molecule

Name: 1,2-dipalmitoyl-sn-glycero-3-phosphatidic acid disodium salt

Name and identifiers

IUPAC name: [(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] hexadecanoate;sodium
InChI: InChI=1S/C35H69O8P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33H,3-32H2,1-2H3,(H2,38,39,40);;/t33-;;/m1../s1
InChI key: MXMKLHVPKZJTGG-QYKZUBHNSA-N
CAS number: 71065-87-7

Structure and atomic composition

Formula: R- $PO_2Na_2OOCH_2CHOCOC_{14}H_{28}CH_3)CH_2OCOC_{14}H_{28}CH_3$
Chemical formula: PO(O-)2(Na+)2OCH2CH(OCOC15H31)CH2OCOC15H31
Structural formula: [Na+].[Na+].[O-]P(=O)([O-])OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$C$	Carbon	35
	$H$	Hydrogen	69
	$O$	Oxygen	6
	$O^-$	Oxide anion	2
	$P$	Phosphorus	1
	$Na^+$	Sodium cation	2

Stereodescriptor

2R

Relations

enantiomer

Isotopic composition

Isotope mixture type: terrestrial abundance

Nuclear spin isomers

Spin type: equilibrated

Molar mass: 692.85 $g/mol$
State STP: solid
Protic: protic
Polarity: amphiphilic

Fundamental vibration modes

Molecule symmetry: no
Case: complex

Chemical functions and bonds

Chemical functions

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

Chemical bonds

	Bond	Number
	$\geq C-C \leq$	30
	$\eqslantgtr C-C\leq$	2
	$\geq C-H$	69
	$>C=O$	2
	$\eqslantgtr C-O-$	2
	$=P-O-$	1
	$=P-O^-$	2
	$P=O$	1
	$Na^+ \cdot O^{-}-$	2