(1S)-5-Deoxy-1-O-Methyl-1-C-[(2R,3S)-3,5,7,10-Tetrahydroxy-6-Methyl-4-Oxo-1,2,3,4-Tetrahydro-2-Anthracenyl]-D-Xylulose

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Properties Simple | Detailed

Formula C21H24O9
IUPAC Name (2s,3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
Molecular Mass 420.410 g·mol−1
Heat of Formation -1534.9 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 463.78 Å 3
Surface Area 394.29 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • (2s,3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • (2s,3r)-3-[(1s,3s,4r)-3,4-dihydroxy-2-keto-1-methoxy-pentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one
  • chromomycinone
  • d-threo-2-pentulose, 5-deoxy-1-o-methyl-1-c-(1,2,3,4-tetrahydro-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-2-anthracenyl)-, (2r-(2alpha(1s*),3beta))-
  • dxb
CAS Number(s)
  • 100927-15-9
  • 10183-93-4
  • 17050-67-8
InChIKey AOCJXLJIUYHXRS-PKRZCTMMSA-N
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