2-Acetamido-4,5-Anhydro-1,2-Dideoxy-4-Methyl-1-Phenyl-D-Xylitol

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Properties Simple | Detailed

Formula C14H19NO3
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-2-[(2r)-2-methyloxiran-2-yl]ethyl]acetamide
Molecular Mass 249.306 g·mol−1
Heat of Formation -421.4 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 319.57 Å 3
Surface Area 274.19 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
InChIKey JMHXNXJFBFTKHQ-BFHYXJOUSA-N
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