(2Z)-4-(β-D-Glucopyranosyloxy)-2-(Hydroxymethyl)-2-Butenenitrile

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Properties Simple | Detailed

Formula C11H17NO7
IUPAC Name (z)-2-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile
Molecular Mass 275.255 g·mol−1
Heat of Formation -1117.1 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 318.93 Å 3
Surface Area 290.85 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-but-2-enenitrile
  • (z)-2-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
  • (z)-2-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile
  • (z)-2-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-2-enenitrile
  • (z)-2-methylol-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enenitrile
  • 2-butenenitrile, 4-(beta-d-glucopyranosyloxy)-2-(hydroxymethyl)-, (e)-
  • sarmentosine
InChIKey FWAYDNJCBHNWQD-JVNCHOTKSA-N
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