Methyl (2E)-4-O-(N-Acetyl-L-Phenylalanyl)-5,6-Anhydro-2,3-Dideoxy-5-Methyl-L-Threo-Hex-2-Enonate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H23NO6
IUPAC Name methyl (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2s)-2-methyloxiran-2-yl]but-2-enoate
Molecular Mass 361.389 g·mol−1
Heat of Formation -869.3 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 451.21 Å 3
Surface Area 351.89 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4r)-4-[(2r)-2-acetamido-1-oxo-3-phenylpropoxy]-4-[(2s)-2-methyl-2-oxiranyl]but-2-enoic acid methyl ester
  • (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2s)-2-methyloxiran-2-yl]but-2-enoic acid methyl ester
  • methyl (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2s)-2-methyloxiran-2-yl]but-2-enoate
  • methyl (e,4r)-4-[(2r)-2-acetamido-3-phenylpropanoyl]oxy-4-[(2s)-2-methyloxiran-2-yl]but-2-enoate
InChIKey MBKQCBOAVJHAAM-JYVCNAGTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N