(6R)-5-Acetamido-2,6-Anhydro-3,5-Dideoxy-3-[(2E)-3-Phenyl-2-Propen-1-Yl]-6-[(1S,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C20H25NO8
IUPAC Name (2r,3r,4s)-3-acetamido-5-[(e)-cinnamyl]-4-hydroxy-2-[(1s,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 407.414 g·mol−1
Heat of Formation -1335.7 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 473.98 Å 3
Surface Area 407.18 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey LRXKGKMIXXSWGY-KXNCHKOWSA-N
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