IUPAC Name :4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid
InChI :InChI=1/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27-31H,5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t14-,17+,18+,19-,20+,24+/m0/s1
Std.InChI: InChI=1S/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27-31H,5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t14-,17+,18+,19-,20+,24+/m0/s1
InChIKey :JGRJFJIJVQCUMW-HQSRNOONBX
Std.InChIKey: JGRJFJIJVQCUMW-HQSRNOONSA-N
SMILES :C1[C@H](N(C2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)/C=C/C4=CC(=NC(=C4)C(=O)O)C(=O)O)C(=O)O
Molar Refractivity :130.27 ± 0.3 cm3 (est)
Parachor :1019.9 ± 6.0 cm3 (est)
Index of Refraction :1.803 ± 0.02
(est)
Surface Tension :127.1 ± 3.0 dyne/cm (est)
Density :1.805 ± 0.06 g/cm3 (est)
Polarizability :51.64 ± 0.5 10-24cm3 (est)