IUPAC Name :(1R,2S)-3-[(2S,3R,4S,5S)-2-(carboxymethyl)-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid
InChI :InChI=1/C25H24O13/c26-13-2-1-9(4-14(13)27)20-11-6-16(29)15(28)5-10(11)3-12(21(20)24(34)35)25(36)38-23-18(7-19(31)32)37-8-17(30)22(23)33/h1-6,17-18,20-23,26-30,33H,7-8H2,(H,31,32)(H,34,35)/t17-,18-,20+,21+,22-,23-/m0/s1
Std.InChI: InChI=1S/C25H24O13/c26-13-2-1-9(4-14(13)27)20-11-6-16(29)15(28)5-10(11)3-12(21(20)24(34)35)25(36)38-23-18(7-19(31)32)37-8-17(30)22(23)33/h1-6,17-18,20-23,26-30,33H,7-8H2,(H,31,32)(H,34,35)/t17-,18-,20+,21+,22-,23-/m0/s1
InChIKey :BQZDJLGHFNHARS-FMIOCKMGBZ
Std.InChIKey: BQZDJLGHFNHARS-FMIOCKMGSA-N
SMILES :C1[C@@H]([C@@H]([C@H]([C@@H](O1)CC(=O)O)OC(=O)C2=CC3=CC(=C(C=C3[C@H]([C@@H]2C(=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O
Molar Refractivity :123.20 ± 0.4 cm3 (est)
Parachor :994.3 ± 6.0 cm3 (est)
Index of Refraction :1.758 ± 0.03 (est)
Surface Tension :120.9 ± 5.0 dyne/cm (est)
Density :1.77 ± 0.1 g/cm3 (est)
Polarizability :48.84 ± 0.5 10-24cm3 (est)