Isodomoic Acid A

Molecule SVG Image

Properties Simple | Detailed

Formula C15H21NO6
IUPAC Name (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,4e)-5-carboxy-1-methyl-hexa-1,4-dienyl]pyrrolidine-2-carboxylic acid
Molecular Mass 311.330 g·mol−1
Heat of Formation -1119.5 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 379.99 Å 3
Surface Area 318.58 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,4e)-6-hydroxy-1,5-dimethyl-6-oxo-hexa-1,4-dienyl]pyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,4e)-6-hydroxy-1,5-dimethyl-6-oxohexa-1,4-dienyl]-2-pyrrolidinecarboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(1z,4e)-6-hydroxy-6-keto-1,5-dimethyl-hexa-1,4-dienyl]proline
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(2z,5e)-7-hydroxy-6-methyl-7-oxo-hepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid
  • (2s,3s,4s)-3-(carboxymethyl)-4-[(2z,5e)-7-hydroxy-6-methyl-7-oxohepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid
CAS Number(s)
  • 101899-44-9
InChIKey DDAJBUQQWFXHDM-UUYKTWPLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N