IUPAC Name :N-[(E)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadec-11-en-2-yl]-2-hydroxyicosanamide
InChI :InChI=1/C45H87NO10/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h16,20,36-43,45,47-53H,3-15,17-19,21-35H2,1-2H3,(H,46,54)/b20-16+
Std.InChI: InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h16,20,36-43,45,47-53H,3-15,17-19,21-35H2,1-2H3,(H,46,54)/b20-16+
InChIKey :CBRDIWBNFRUVPT-CAPFRKAQBV
Std.InChIKey: CBRDIWBNFRUVPT-CAPFRKAQSA-N
SMILES :CCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCC/C=C/CCCCCCC)O)O)O
Molar Refractivity :219.68 ± 0.5 cm3 (est)
Parachor :1825.4 ± 8.0 cm3 (est)
Index of Refraction :1.521 ± 0.05
(est)
Surface Tension :41.1 ± 7.0 dyne/cm (est)
Density :1.11 ± 0.1 g/cm3 (est)
Polarizability :87.08 ± 0.5 10-24cm3 (est)