5-Acetamido-2,6-Anhydro-3,5-Dideoxy-3-C-[3'-(P-Tolyl)Prop-2'-Enyl]-D-Glycero-D-Galacto-Non-2-Enonic Acid

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Properties Simple | Detailed

Formula C21H27NO8
IUPAC Name (2r,3r,4s)-3-acetamido-4-hydroxy-5-[(e)-3-(p-tolyl)allyl]-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 421.441 g·mol−1
Heat of Formation -1357.5 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 492.64 Å 3
Surface Area 419.32 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey CCPSTGRFUHTVNN-ZSEVYCOTSA-N
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