Ly-341,495

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Properties Simple | Detailed

Formula C20H19NO5
IUPAC Name (1s,2s)-2-[(1s)-1-amino-1-carboxy-2-(9h-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid
Molecular Mass 353.369 g·mol−1
Heat of Formation -631.6 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 409.02 Å 3
Surface Area 313.62 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-2-[(1s)-1-amino-2-hydroxy-2-keto-1-(9h-xanthen-9-ylmethyl)ethyl]cyclopropane-1-carboxylic acid
  • (1s,2s)-2-[(1s)-1-amino-2-hydroxy-2-oxo-1-(9h-xanthen-9-ylmethyl)ethyl]-1-cyclopropanecarboxylic acid
  • (1s,2s)-2-[(1s)-1-amino-2-hydroxy-2-oxo-1-(9h-xanthen-9-ylmethyl)ethyl]cyclopropane-1-carboxylic acid
  • (1s,2s)-2-[(2s)-2-amino-1-hydroxy-1-oxo-3-(9h-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid
InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N
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