IUPAC Name :[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-4,5-dihydroxy-6-(hydroxymethyl)-2-octadecanoyloxyoxan-3-yl] octadecanoate
InChI :InChI=1/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-46-44(56)42(54)38(35-49)60-48(46,47(37-51)45(57)43(55)39(36-50)59-47)61-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51,54-57H,3-37H2,1-2H3/t38-,39-,42-,43-,44+,45+,46-,47+,48+/m1/s1
Std.InChI: InChI=1S/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-46-44(56)42(54)38(35-49)60-48(46,47(37-51)45(57)43(55)39(36-50)59-47)61-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51,54-57H,3-37H2,1-2H3/t38-,39-,42-,43-,44+,45+,46-,47+,48+/m1/s1
InChIKey :MZNXRHOLDWQYRX-CBKJUIDTBH
Std.InChIKey: MZNXRHOLDWQYRX-CBKJUIDTSA-N
SMILES :CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@]1([C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)OC(=O)CCCCCCCCCCCCCCCCC)CO)O)O
MDL: MFCD00152819
Molar Refractivity :238.04 ± 0.4 cm3 (est)
Parachor :2083.3 ± 6.0 cm3 (est)
Index of Refraction :1.528 ± 0.03 (est)
Surface Tension :52.8 ± 5.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :94.36 ± 0.5 10-24cm3 (est)