IUPAC Name :(3R,6S,9S,12S,15R,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
InChI :InChI=1/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36+,37-,38+,39+/m1/s1
Std.InChI: InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36+,37-,38+,39+/m1/s1
InChIKey :GYSCAQFHASJXRS-GVYJJRIZBG
Std.InChIKey: GYSCAQFHASJXRS-GVYJJRIZSA-N
SMILES :CC(C)[C@H]1C(=O)N([C@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@@H](C(=O)N([C@@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C
MDL: MFCD00056846
Molar Refractivity :214.85 ± 0.3 cm3 (est)
Parachor :1756.3 ± 6.0 cm3 (est)
Index of Refraction :1.529 ± 0.02
(est)
Surface Tension :40.5 ± 3.0 dyne/cm (est)
Density :1.126 ± 0.06 g/cm3 (est)
Polarizability :85.17 ± 0.5 10-24cm3 (est)