(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Hexanal

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Properties Simple | Detailed

Formula C12H22O11
IUPAC Name (2s,3r,4r,5r)-2,3,4,5,6-pentahydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexanal
Molecular Mass 342.296 g·mol−1
Heat of Formation -2090.1 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 367.21 Å 3
Surface Area 297.57 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r)-2,3,4,5,6-pentahydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]hexanal
  • (2s,3r,4r,5r)-2,3,4,5,6-pentahydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanal
  • (2s,3r,4r,5r)-2,3,4,5,6-pentahydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexanal
  • (2s,3r,4r,5r)-2,3,4,5,6-pentahydroxy-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]hexanal
InChIKey MDZVNEKSTCYMTL-MAZQTSQJSA-N
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