IUPAC Name :(2S,3R)-1-[(2S,3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid
InChI :InChI=1/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7+,8-,9-/m0/s1
Std.InChI: InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7+,8-,9-/m0/s1
InChIKey :QPIOQLJXMZWNFJ-PQFOHKHZBJ
Std.InChIKey: QPIOQLJXMZWNFJ-PQFOHKHZSA-N
SMILES :C1[C@H]([C@H](N1C[C@@H]([C@@H](C(=O)O)NCC[C@@H](C(=O)O)O)O)C(=O)O)O
Molar Refractivity :71.89 ± 0.3 cm3 (est)
Parachor :643.1 ± 6.0 cm3 (est)
Index of Refraction :1.629 ± 0.02
(est)
Surface Tension :102.5 ± 3.0 dyne/cm (est)
Density :1.664 ± 0.06 g/cm3 (est)
Polarizability :28.50 ± 0.5 10-24cm3 (est)