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

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Properties Simple | Detailed

Formula C18H20N2O6
IUPAC Name methyl (2s,4s,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 -789.0 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 410.79 Å 3
Surface Area 351.65 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-1-indolyl]-4,5-dihydroxy-2-tetrahydropyrancarboxylic acid methyl ester
  • (2s,4s,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid methyl ester
  • alpha-d-lyxo-hexopyranuronic acid, 1-(3-(cyanomethyl)-4-methoxy-1h-indol-1-yl)-1,4-dideoxy-, methyl ester
  • antibiotic sf 2140
  • beta-d-ribo-hexopyranuronic acid, 1-(3-(cyanomethyl)-4-methoxy-1h-indol-1-yl)-1,4-dideoxy-, (sp-4-1)-
  • methyl (2s,4s,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-oxane-2-carboxylate
  • methyl (2s,4s,5s,6s)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate
  • methyl (2s,4s,5s,6s)-6-[3-(cyanomethyl)-4-methoxyindol-1-yl]-4,5-dihydroxyoxane-2-carboxylate
  • methyl (3-cyanomethyl-4-methoxyindol-1-yl-4-deoxy-alpha-d-lyxo-hexopyranosid)uronate
  • methyl 2-(3-cyanomethyl-4-methoxyindol-1-yl)-3,4-dihydroxytetrahydropyran-6-carboxylate
  • sf 2140
CAS Number(s)
  • 91284-30-9
InChIKey HTFYSSZLIDVAIP-CSFVBSKPSA-N
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