IUPAC Name :[(2S,3S,4R)-3,4-dihydroxy-2-[[(Z)-octadec-9-enoyl]amino]octadecyl] (2S)-pyrrolidine-2-carboxylate
InChI :InChI=1/C41H78N2O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-39(45)43-37(35-48-41(47)36-31-30-34-42-36)40(46)38(44)32-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,36-38,40,42,44,46H,3-16,19-35H2,1-2H3,(H,43,45)/b18-17-/t36-,37-,38+,40-/m0/s1
Std.InChI: InChI=1S/C41H78N2O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-39(45)43-37(35-48-41(47)36-31-30-34-42-36)40(46)38(44)32-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,36-38,40,42,44,46H,3-16,19-35H2,1-2H3,(H,43,45)/b18-17-/t36-,37-,38+,40-/m0/s1
InChIKey :CYHKXDDQOVWZHJ-WOTDZECIBN
Std.InChIKey: CYHKXDDQOVWZHJ-WOTDZECISA-N
SMILES :CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC(=O)[C@@H]1CCCN1)NC(=O)CCCCCCC/C=C\CCCCCCCC)O)O
Molar Refractivity :199.50 ± 0.5 cm3 (est)
Parachor :1648.9 ± 8.0 cm3 (est)
Index of Refraction :1.510 ± 0.05
(est)
Surface Tension :37.5 ± 7.0 dyne/cm (est)
Density :1.01 ± 0.1 g/cm3 (est)
Polarizability :79.08 ± 0.5 10-24cm3 (est)