[(3R,4R,5S)-4-Acetamido-5-Amino-3-(3-Pentanyloxy)-1-Cyclohexen-1-Yl]Phosphonic Acid

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Properties Simple | Detailed

Formula C13H25N2O5P
IUPAC Name [(3r,4r,5s)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexen-1-yl]phosphonic acid
Molecular Mass 320.322 g·mol−1
Heat of Formation -1244.8 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 388.57 Å 3
Surface Area 326.87 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4r,5s)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexenyl]phosphonic acid
  • [(3r,4r,5s)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenyl]phosphonic acid
InChIKey MSIIIHISTLWEPM-YNEHKIRRSA-N
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