IUPAC Name :(2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-3-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
InChI :InChI=1/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t25-,26-,27-,28-/m0/s1
Std.InChI: InChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t25-,26-,27-,28-/m0/s1
InChIKey :AEABCQUPKOOFQW-LJWNLINEBW
Std.InChIKey: AEABCQUPKOOFQW-LJWNLINESA-N
SMILES :C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=C(C(=CC(=C2)C[C@@H](C(=O)O)N)C3=CC(=CC(=C3O)OC4=CC=C(C=C4)C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N)O
Molar Refractivity :184.45 ± 0.3 cm3 (est)
Parachor :1451.2 ± 4.0 cm3 (est)
Index of Refraction :1.686 ± 0.02
(est)
Surface Tension :80.3 ± 3.0 dyne/cm (est)
Density :1.482 ± 0.06 g/cm3 (est)
Polarizability :73.12 ± 0.5 10-24cm3 (est)