IUPAC Name :(2S)-4-[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]-2,3-dihydropyridine-2,6-d
InChI :InChI=1/C24H26N2O13/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/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
Std.InChI: InChI=1S/C24H26N2O13/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/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1
InChIKey :CTMLKIKAUFEMLE-FMOSSLLZBQ
Std.InChIKey: CTMLKIKAUFEMLE-FMOSSLLZSA-N
SMILES :C1[C@H](N=C(C=C1C=CN2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O
MDL: MFCD00060076
Molar Refractivity :122.11 ± 0.5 cm3 (est)
Parachor :916.3 ± 8.0 cm3 (est)
Index of Refraction :1.740 ± 0.05 (est)
Surface Tension :83.9 ± 7.0 dyne/cm (est)
Density :1.81 ± 0.1 g/cm3 (est)
Polarizability :48.41 ± 0.5 10-24cm3 (est)