ciceritol

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IUPAC Name :(1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
InChI :InChI=1/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1
Std.InChI: InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1
InChIKey :ATDWJHOSZLOQDJ-LMKXGGCJBT
Std.InChIKey: ATDWJHOSZLOQDJ-LMKXGGCJSA-N
SMILES :CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O
Molar Refractivity :109.13 ± 0.4 cm3 (est)
Parachor :958.9 ± 6.0 cm3 (est)
Index of Refraction :1.660 ± 0.03 (est)
Surface Tension :111.0 ± 5.0 dyne/cm (est)
Density :1.75 ± 0.1 g/cm3 (est)
Polarizability :43.26 ± 0.5 10-24cm3 (est)