(3S)-6-Hydroxy-3-Methyl-1,7,12-Trioxo-1,2,3,4,7,12-Hexahydro-8-Tetraphenyl 6-Deoxy-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C25H24O9
IUPAC Name (3s)-6-hydroxy-3-methyl-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
Molecular Mass 468.453 g·mol−1
Heat of Formation -1423.4 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 512.14 Å 3
Surface Area 417.89 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-6-hydroxy-3-methyl-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
  • (3s)-6-hydroxy-3-methyl-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
  • (3s)-6-hydroxy-3-methyl-8-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
  • atramycin a
  • benz(a)anthracene-1,7,12(2h)-trione, 8-((6-deoxy-alpha-l-mannopyranosyl)oxy)-3,4-dihydro-6-hydroxy-3-methyl-, (s)-
CAS Number(s)
  • 137109-48-9
InChIKey WEVSDLAMOJTGBF-JIOQQOEXSA-N
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