Neodysiherbaine A

Molecule SVG Image

Properties Simple | Detailed

Formula C11H17NO8
IUPAC Name (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxy-ethyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid
Molecular Mass 291.255 g·mol−1
Heat of Formation -1514.4 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 313.35 Å 3
Surface Area 263.17 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
  • (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
  • (2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
InChIKey NRTJEXLNSCGBJU-FQYLSUDWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N