(1S,4S)-4-[(2,6-Dideoxy-α-D-Xylo-Hexopyranosyl)Oxy]-1-(Beta-D-Glucopyranosyloxy)-2-Cyclopentene-1-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C18H27NO10
IUPAC Name (1s,4s)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
Molecular Mass 417.408 g·mol−1
Heat of Formation -1701.0 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 474.82 Å 3
Surface Area 384.41 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4s)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
  • (1s,4s)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
  • (1s,4s)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
  • (1s,4s)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
  • (1s,4s)-4-[[(2s,4s,5r,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-cyclopent-2-enecarbonitrile
  • 1-(glucopyranosyloxy)-4-(2,6-dideoxyhexopyranosyloxy)-2-cylcopentene-1-carbonitrile
  • 2-cyclopentene-1-carbonitrile, 4-((2,6-dideoxy-beta-d-xylo-hexopyranosyl)oxy)-1-(beta-d-glucopyranosyloxy)-, (1s-cis)-
  • passicapsin
CAS Number(s)
  • 82829-54-7
InChIKey KQTRNMODDGXNSU-OASXGSIPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N