IUPAC Name :(2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
InChI :InChI=1/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,27-30H,4-5,8H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38,39)/b2-1+/t12-,14-,17+,18+,19-,20+,24+/m0/s1
Std.InChI: InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,27-30H,4-5,8H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38,39)/b2-1+/t12-,14-,17+,18+,19-,20+,24+/m0/s1
InChIKey :WAVKJVFFCMUVGK-FTNGGYTGBO
Std.InChIKey: WAVKJVFFCMUVGK-FTNGGYTGSA-N
SMILES :C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)O)C(=O)O)C(=O)O)C(=O)O
Molar Refractivity :133.26 ± 0.5 cm3 (est)
Parachor :1016.6 ± 8.0 cm3 (est)
Index of Refraction :1.743 ± 0.05
(est)
Surface Tension :90.8 ± 7.0 dyne/cm (est)
Density :1.91 ± 0.1 g/cm3 (est)
Polarizability :52.82 ± 0.5 10-24cm3 (est)