IUPAC Name :(2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21?/m0/s1
Std.InChI: InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21?/m0/s1
InChIKey :DUBCCGAQYVUYEU-MBIBTLSJBI
Std.InChIKey: DUBCCGAQYVUYEU-MBIBTLSJSA-N
SMILES :c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
MDL: MFCD09752939
Molar Refractivity :106.10 ± 0.4 cm3 (est)
Parachor :847.5 ± 6.0 cm3 (est)
Index of Refraction :1.818 ± 0.03
(est)
Surface Tension :145.6 ± 5.0 dyne/cm (est)
Density :1.96 ± 0.1 g/cm3 (est)
Polarizability :42.06 ± 0.5 10-24cm3 (est)