(1S,8R,10R,12R)-4-Amino-1,12-Dihydroxy-10-Methyl-3,6-Dioxo-9-Oxatricyclo[6.2.2.0~2,7~]Dodeca-2(7),4-Diene-5-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14N2O6
IUPAC Name (1s,8r,10r,12r)-4-amino-1,12-dihydroxy-10-methyl-3,6-dioxo-9-oxatricyclo[6.2.2.0 2,7 ]dodeca-2(7),4-diene-5-carboxamide
Molecular Mass 294.260 g·mol−1
Heat of Formation -936.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 306.1 Å 3
Surface Area 264.67 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -2.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-ethano-1h-2-benzopyran-7-carboxamide, 6-amino-3,4,5,8-tetrahydro-4,9-dihydroxy-3-methyl-5,8-dioxo-, (1alpha,3beta,4beta,9r*)-
  • 1,4-ethano-1h-2-benzopyrancarboxamide, 6(or 7)-amino-3,4,5,8-tetrahydro-4,9-dihydroxy-3-methyl-5,8-dioxo-
  • 6-amino-3,4,5,8-tetrahydro-4,9-dihydroxy-3-methyl-5,8-dioxo-1,4-ethano-1h-2-benzopyron-7-carboxamide
  • sarcinamycin a
  • u 58,431
  • u 58431
  • u-58,431
  • u-58431
CAS Number(s)
  • 74639-67-1
InChIKey GSJMLLODAGRVEL-DTUWZIPPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N