1-HEXADECANOYL-2-[CIS-9-OCTADECANOYL]-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] AMMONIUM SALT

The CAS register number of 1-Palmitoyl-2-oleoyl-phosphatidylglycerol is 81490-05-3. It also can be called as 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphorylglycerol, sodium salt and the systematic name about this chemical is 2-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate. The molecular formula about this chemical is C₄₀H₇₇O₁₀P and the molecular weight is 749.01.

Physical properties about 1-Palmitoyl-2-oleoyl-phosphatidylglycerol are: (1)ACD/LogP: 13.57; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 10.16; (4)ACD/LogD (pH 7.4): 10.07; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 222144.14; (8)ACD/KOC (pH 7.4): 182771.92; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 43; (12)Polar Surface Area: 125.63 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 205.85 cm³; (15)Molar Volume: 719.5 cm³; (16)Polarizability: 81.6x10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 424.9 °C; (20)Enthalpy of Vaporization: 129.2 kJ/mol; (21)Boiling Point: 778.9 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-28 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-
(3)InChIKey: PAZGBAOHGQRCBP-ZCXUNETKBH
(4)Std. InChI: InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-
(5)Std. InChIKey: PAZGBAOHGQRCBP-ZCXUNETKSA-N