(2R,3E)-4-[(1R,6S)-1-Hydroxy-6-(Hydroxymethyl)-2,2-Dimethyl-4-Oxocyclohexyl]-3-Buten-2-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H32O9
IUPAC Name (4r,5s)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohexanone
Molecular Mass 404.452 g·mol−1
Heat of Formation -1736.7 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 486.46 Å 3
Surface Area 369.64 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-4-hydroxy-3,3-dimethyl-5-methylol-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybut-1-enyl]cyclohexan-1-one
  • (4r,5s)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one
  • (4r,5s)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohexan-1-one
  • (4r,5s)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethyl-4-[(e,3r)-3-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-1-enyl]-1-cyclohexanone
InChIKey HNFCTWJBJGEYGD-DZDMONCLSA-N
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