(2R,3R)-2-[(Dichloroacetyl)Amino]-3-Hydroxy-3-[4-(Methylsulfonyl)Phenyl]Propyl Glycinate

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Formula C14H18Cl2N2O6S
IUPAC Name [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate
Molecular Mass 413.274 g·mol−1
Heat of Formation -1039.8 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 431.48 Å 3
Surface Area 357.97 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-aminoacetic acid [(2r,3r)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] ester
  • 2-aminoacetic acid [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-mesylphenyl)propyl] ester
  • [(2r,3r)-2-(2,2-dichloroethanoylamino)-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoethanoate
  • [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate
CAS Number(s)
  • 14434-24-3
  • 2393-92-2
  • 29963-28-8
  • 36708-15-3
  • 51514-22-8
InChIKey AMGKHLVPQHMHGQ-ZYHUDNBSSA-N
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