Mannopine

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Formula C11H22N2O8
IUPAC Name (2s)-5-amino-5-oxo-2-[[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
Molecular Mass 310.301 g·mol−1
Heat of Formation -1576.4 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 363.19 Å 3
Surface Area 315.42 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-5-keto-2-[[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]valeric acid
  • (2s)-5-amino-5-oxo-2-[[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
  • d-mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, (s)-
CAS Number(s)
  • 87084-52-4
InChIKey VPRLICVDSGMIKO-SZWOQXJISA-N
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