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

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Properties Simple | Detailed

Formula C19H23NO6
IUPAC Name methyl (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2r)-2-methyloxiran-2-yl]but-2-enoate
Molecular Mass 361.389 g·mol−1
Heat of Formation -866.9 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 441.34 Å 3
Surface Area 348.86 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4r)-4-[(2r)-2-acetamido-1-oxo-3-phenylpropoxy]-4-[(2r)-2-methyl-2-oxiranyl]but-2-enoic acid methyl ester
  • (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2r)-2-methyloxiran-2-yl]but-2-enoic acid methyl ester
  • ak-me6
  • d-phenylalanine, n-acetyl-, 4-methoxy-1-(2-methyloxiranyl)-4-oxo-2-butenyl ester, (r-(r*,r*-(e)))-
  • methyl (e,4r)-4-[(2r)-2-acetamido-3-phenyl-propanoyl]oxy-4-[(2r)-2-methyloxiran-2-yl]but-2-enoate
  • methyl (e,4r)-4-[(2r)-2-acetamido-3-phenylpropanoyl]oxy-4-[(2r)-2-methyloxiran-2-yl]but-2-enoate
  • methyl 4-(n-acetylphenylalanyl)oxy-5,6-epoxy-5-methylhex-2-enoate
CAS Number(s)
  • 104973-52-6
InChIKey MBKQCBOAVJHAAM-SUCNGJPUSA-N
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