{4-[(6-Deoxy-α-L-Mannopyranosyl)Oxy]Phenyl}Acetonitrile

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Properties Simple | Detailed

Formula C14H17NO5
IUPAC Name 2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acetonitrile
Molecular Mass 279.288 g·mol−1
Heat of Formation -746.7 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 328.17 Å 3
Surface Area 293.63 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxyphenyl]ethanenitrile
  • 2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]acetonitrile
  • 2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetonitrile
  • 2-[4-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]phenyl]acetonitrile
  • 4-((6-deoxy-alpha-l-mannopyranosyl)oxy)benzeneacetonitrile
  • 4-(alpha-l-rhamnosyloxy)phenylacetonitrile
  • 4-(rhamnosyloxy)phenylacetonitrile
  • benzeneacetonitrile, 4-((6-deoxy-alpha-l-mannopyranosyl)oxy)-
CAS Number(s)
  • 122001-32-5
InChIKey OBJREHLZEIEGDU-CNJBRALLSA-N
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