IUPAC Name :2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile
InChI :InChI=1/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
Std.InChI: InChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
InChIKey :YWQNATCXFBWYHU-KWOKUELKBL
Std.InChIKey: YWQNATCXFBWYHU-KWOKUELKSA-N
SMILES :C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C(=CN2)CC#N
Molar Refractivity :116.40 ± 0.4 cm3 (est)
Parachor :959.5 ± 6.0 cm3 (est)
Index of Refraction :1.706 ± 0.03
(est)
Surface Tension :105.8 ± 5.0 dyne/cm (est)
Density :1.65 ± 0.1 g/cm3 (est)
Polarizability :46.14 ± 0.5 10-24cm3 (est)