IUPAC Name :3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
InChI :InChI=1/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1
Std.InChI: InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1
InChIKey :MTXMHWSVSZKYBT-ASDZUOGYBZ
Std.InChIKey: MTXMHWSVSZKYBT-ASDZUOGYSA-N
SMILES :O=C(O)CC(=O)OC[C@H]4O[C@@H](Oc2cc3O/C=C(/c1ccc(O)cc1)C(=O)c3cc2)[C@H](O)[C@@H](O)[C@@H]4O
MDL: MFCD02684044
Molar Refractivity :117.49 ± 0.3 cm3 (est)
Parachor :949.5 ± 6.0 cm3 (est)
Index of Refraction :1.669 ± 0.02
(est)
Surface Tension :82.6 ± 3.0 dyne/cm (est)
Density :1.595 ± 0.06 g/cm3 (est)
Polarizability :46.58 ± 0.5 10-24cm3 (est)