IUPAC Name :(10R)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
InChI :InChI=1/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey :MNAYRSRTNMVAPR-OPEXUXIQBB
Std.InChIKey: MNAYRSRTNMVAPR-OPEXUXIQSA-N
SMILES :C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4[C@@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O
Molar Refractivity :136.28 ± 0.3 cm3 (est)
Parachor :1095.0 ± 6.0 cm3 (est)
Index of Refraction :1.726 ± 0.02
(est)
Surface Tension :104.3 ± 3.0 dyne/cm (est)
Density :1.694 ± 0.06 g/cm3 (est)
Polarizability :54.02 ± 0.5 10-24cm3 (est)