(3S,4R,5R)-4-Acetamido-3-Carbamimidamido-5-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H26N4O4
IUPAC Name (3s,4r,5r)-4-acetamido-5-(1-ethylpropoxy)-3-guanidino-cyclohexene-1-carboxylic acid
Molecular Mass 326.391 g·mol−1
Heat of Formation -767.0 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 408.31 Å 3
Surface Area 345.43 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey HGYRNBWLYZJBDT-YNEHKIRRSA-N
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