(3S,4R,5R)-4-Acetamido-3-[4-(2-Hydroxy-2-Propanyl)-1H-1,2,3-Triazol-1-Yl]-5-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H30N4O5
IUPAC Name (3s,4r,5r)-4-acetamido-3-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-5-pentan-3-yloxycyclohexene-1-carboxylic acid
Molecular Mass 394.465 g·mol−1
Heat of Formation -827.7 ± 16.7 kJ·mol−1
Dipole Moment 8.56 ± 1.08 D
Volume 491.36 Å 3
Surface Area 403.0 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey SHZLGTIBAVWRQZ-ZMSDIMECSA-N
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