(1S)-5-Deoxy-1-C-[(2R)-5,10-Dihydroxy-6-Methyl-4-Oxo-1,2,3,4-Tetrahydro-2-Anthracenyl]-1-O-Methyl-L-Ribulose

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name (3r)-3-[(1s,3s,4s)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
Molecular Mass 388.411 g·mol−1
Heat of Formation -1216.1 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 442.13 Å 3
Surface Area 378.3 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(1s,3s,4s)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • (3r)-3-[(1s,3s,4s)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • (3r)-3-[(1s,3s,4s)-3,4-dihydroxy-2-keto-1-methoxy-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene
InChIKey XBKVKSRQTHGEJA-LAHPPJGFSA-N
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Elements H C O