(1R)-1,5-Anhydro-2,6-Dideoxy-1-[(3R)-3,8-Dihydroxy-3-Methyl-1,7,12-Trioxo-1,2,3,4,7,12-Hexahydro-9-Tetraphenyl]-D-Arabino-Hexitol

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Properties Simple | Detailed

Formula C25H24O8
IUPAC Name (3r)-3-[6-methanidyl-1,9,10-trioxo-5-(3-oxobutanoyl)-3,8-dihydroanthracene-2,3,8-triid-2-yl]-3-[(1r)-1-methyl-2-oxo-ethoxy]propanal
Molecular Mass 452.453 g·mol−1
Heat of Formation -1269.9 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 501.88 Å 3
Surface Area 421.45 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • urdamycinone b
InChIKey RWSPXLDDWKEOIW-VLIDSJQPSA-N
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