(2Z)-[(4S,6R)-6-(β-D-Glucopyranosyloxy)-4-Hydroxy-2-Cyclohexen-1-Ylidene]Acetonitrile

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Properties Simple | Detailed

Formula C14H19NO7
IUPAC Name (2z)-2-[(4s,6r)-4-hydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohex-2-en-1-ylidene]acetonitrile
Molecular Mass 313.303 g·mol−1
Heat of Formation -1087.2 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 354.73 Å 3
Surface Area 295.82 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(4s,6r)-4-hydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-cyclohex-2-enylidene]acetonitrile
  • (2z)-2-[(4s,6r)-4-hydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-cyclohex-2-enylidene]ethanenitrile
  • (2z)-2-[(4s,6r)-4-hydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-cyclohex-2-enylidene]acetonitrile
  • (2z)-2-[(4s,6r)-4-hydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-cyclohex-2-enylidene]acetonitrile
  • (2z)-2-[(4s,6r)-4-hydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-cyclohex-2-enylidene]acetonitrile
  • acetonitrile, ((4s,6r)-6-(beta-d-glucopyranosyloxy)-4-hydroxy-2-cyclohexen-1-ylidene)-, (2z)-
InChIKey UTHVFIKQCUKKQW-YIVVZXMPSA-N
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