3-({3-[(2S)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydro-1(2H)-Pyrimidinyl}Methyl)-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C14H15N3O6S
IUPAC Name 3-[[3-[(2s)-2-amino-2-carboxy-ethyl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid
Molecular Mass 353.350 g·mol−1
Heat of Formation -947.4 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 387.54 Å 3
Surface Area 333.07 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-2,6-diketo-5-methyl-pyrimidin-1-yl]methyl]-2-thenoic acid
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid
  • 3-[[3-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxo-1-pyrimidinyl]methyl]-2-thiophenecarboxylic acid
  • uba
InChIKey ZTAZUCRXCRXNSU-VIFPVBQESA-N
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