2-[(2Z,5Z,7Z,9R,10R,11Z)-10-Hydroxy-3,7,9,11-Tetramethyl-2,5,7,11-Tridecatetraen-1-Yl]-5,6-Dimethoxy-3-Methyl-4-Pyridinyl 6-Deoxy-β-D-Talopyranoside

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Properties Simple | Detailed

Formula C31H38NO8
IUPAC Name (5s)-2-ethynyl-11-[2-methoxy-5-methyl-4-[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3h-pyridin-1-ium-3,5-diid-6-yl]-9-methylene-5-[(e)-prop-1-enyl]undeca-3,6-diynal; methanone
Molecular Mass 552.635 g·mol−1
Heat of Formation -1390.7 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 721.46 Å 3
Surface Area 535.85 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-2-[2-[(2z,5z,7z,9r,10r,11z)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-pyridin-4-yl]oxy-6-methyl-oxane-3,4,5-triol
  • (2s,3s,4s,5r,6r)-2-[2-[(2z,5z,7z,9r,10r,11z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol
  • (2s,3s,4s,5r,6r)-2-[[2-[(2z,5z,7z,9r,10r,11z)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridyl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
  • (2s,3s,4s,5r,6r)-2-[[2-[(2z,5z,7z,9r,10r,11z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridyl]oxy]-6-methyltetrahydropyran-3,4,5-triol
  • 3-dtp-a1
  • beta-d-talopyranoside, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-, (r-(r*,r*-(all-e)))-
CAS Number(s)
  • 134876-72-5
InChIKey ZIBGPNICZWZARG-IUKVASKQSA-N
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