IUPAC Name :(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
InChI :InChI=1/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChIKey :JBFOLLJCGUCDQP-ZFORQUDYBE
Std.InChIKey: JBFOLLJCGUCDQP-ZFORQUDYSA-N
SMILES :C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
MDL: MFCD23699539
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)