IUPAC Name :(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChIKey :IKIIZLYTISPENI-ZFORQUDYBD
Std.InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N
SMILES :O=C3\C=C(/Oc2cc(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(O)c(O)c23)c4ccccc4
MDL: MFCD00134418
Molar Refractivity :103.55 ± 0.3 cm3 (est)
Parachor :819.0 ± 6.0 cm3 (est)
Index of Refraction :1.739 ± 0.02
(est)
Surface Tension :103.3 ± 3.0 dyne/cm (est)
Density :1.737 ± 0.06 g/cm3 (est)
Polarizability :41.05 ± 0.5 10-24cm3 (est)