(−)-Dysiherbaine

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Properties Simple | Detailed

Formula C12H20N2O7
IUPAC Name (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxy-ethyl]-6-hydroxy-7-(methylamino)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid
Molecular Mass 304.296 g·mol−1
Heat of Formation -1285.0 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 343.53 Å 3
Surface Area 284.4 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-6-hydroxy-7-methylamino-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
  • (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-7-methylamino-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
  • (2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-6-hydroxy-7-methylamino-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
InChIKey YUSZFKPLFIQTGF-FDNSHYBFSA-N
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