IUPAC Name :(3S)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
InChI :InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
Std.InChI: InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
InChIKey :SBVBJPHMDABKJV-PGCJWIIOBK
Std.InChIKey: SBVBJPHMDABKJV-PGCJWIIOSA-N
SMILES :O(C[C@H](Cc1ccc(O)c(OC)c1)[C@@H](Cc2ccc(O)c(OC)c2)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
MDL: MFCD03427692
Molar Refractivity :165.50 ± 0.4 cm3 (est)
Parachor :1380.4 ± 6.0 cm3 (est)
Index of Refraction :1.655 ± 0.03
(est)
Surface Tension :87.8 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :65.60 ± 0.5 10-24cm3 (est)