3-(Cyanomethyl)-1-(4-Deoxy-6-Methyl-α-D-Arabino-Hexopyranosyluronosyl)-4-Methoxy-1H-Indole

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20N2O6
IUPAC Name methyl (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 360.361 g·mol−1
Heat of Formation -779.9 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 412.46 Å 3
Surface Area 358.82 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-1-indolyl]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid methyl ester
  • (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid methyl ester
  • methyl (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-oxane-2-carboxylate
  • methyl (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate
  • methyl (2s,4r,5s,6s)-6-[3-(cyanomethyl)-4-methoxyindol-1-yl]-4,5-dihydroxyoxane-2-carboxylate
  • sf-2140
InChIKey HTFYSSZLIDVAIP-QCPWZWHMSA-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