(2S)-2-{[(2S)-2-{[(2R)-2-{[3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-Yl]Oxy}Propanoyl]Amino}Propanoyl]Amino}Pentanedioic Acid

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Properties Simple | Detailed

Formula C19H31N3O12
IUPAC Name (2r)-2-[[(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid
Molecular Mass 493.462 g·mol−1
Heat of Formation -2374.0 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 583.66 Å 3
Surface Area 447.92 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
InChIKey ONWXTUROIDEFMO-PUFOHHGRSA-N
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