(5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16E)-11-Ethyl-10,12-Dihydroxy-3,17-Dimethoxy-7,9,13,15-Tetramethyl-18-Oxooxacyclooctadeca-4,6,14,16-Tetraen-2-Yl]-3-Hydroxy-2-Pentanyl}-4-Methyl-5-[(1E)-1-Propen-1-Yl]-α-D-Threo-Pentopyranose

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Properties Simple | Detailed

Formula C39H64O10
IUPAC Name carbon dioxide; 5-ethynyl-2-(4-hydroxybuta-1,3-diynyl)-3,6-dimethyl-pyran-4-one; 2-ethynyl-5-methylene-6-prop-1-ynyl-tetrahydropyran-3,4-dione; formaldehyde; prop-1-yn-1-ol
Molecular Mass 692.919 g·mol−1
Heat of Formation -1999.7 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 897.7 Å 3
Surface Area 619.16 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(1s,2r,3s)-3-[(2r,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-[(e)-prop-1-enyl]-2-tetrahydropyranyl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • (3e,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(1s,2r,3s)-3-[(2r,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-[(e)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • (3e,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-[(e)-prop-1-enyl]oxan-2-yl]-3-hydroxy-pentan-2-yl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
  • concanamycin a, 23-o-de(4-o-(aminocarbonyl)-2,6-dideoxy-beta-d-arabino-hexopyranosyl)-
  • concanamycin f
CAS Number(s)
  • 144539-92-4
InChIKey YNZXLMPHTZVKJN-STTJUCNZSA-N
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