(1R)-1,5-Anhydro-2,6-Dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-Dideoxy-β-D-Arabino-Hexopyranosyl)Oxy]-6-Methyltetrahydro-2H-Pyran-2-Yl}-1-[(3R)-3,8-Dihydroxy-3-Methyl-1,7,12-Trioxo-1,2,3,4,7,12-Hexahydro-9-Tetraphenyl]-D-Arabino-Hexitol

Molecule SVG Image

Properties Simple | Detailed

Formula C37H44O13
IUPAC Name dioxirane; 2-ethynyl-6-methylene-4-[(6-methylene-2,5-dihydropyran-2-yl)oxy]-2h-pyran-5-one; formaldehyde; molecular oxygen; prop-1-yne-1,3-diol
Molecular Mass 696.737 g·mol−1
Heat of Formation -2253.7 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 792.77 Å 3
Surface Area 645.68 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-9-[(2r,4r,5r,6r)-4-[(2s,5s,6s)-5-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-5-hydroxy-6-methyl-oxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[b]phenanthrene-1,7,12-trione
  • (3r)-9-[(2r,4r,5r,6r)-4-[(2s,5s,6s)-5-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[b]phenanthrene-1,7,12-trione
  • (3r)-9-[(2r,4r,5r,6r)-4-[(2s,5s,6s)-5-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[b]phenanthrene-1,7,12-trione
  • (3r)-9-[(2r,4r,5r,6r)-4-[[(2s,5s,6s)-5-[[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6-methyl-2-tetrahydropyranyl]oxy]-5-hydroxy-6-methyl-2-tetrahydropyranyl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[b]phenanthrene-1,7,12-trione
  • (r)-9-(2,6-dideoxy-3-o-((2s-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-d-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2h-pyran-2-yl)-beta-d-arabino-hexopyranosyl)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2h)-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 9-(2,6-dideoxy-3-o-((2s-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-d-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2h-pyran-2-yl)-beta-d-arabino-hexopyranosyl)-3,4-dihydro-3,8-dihydroxy-3-methyl-, (r)-
  • urdamycin b
CAS Number(s)
  • 104542-46-3
InChIKey RVYIFZVNJLDNAV-VSYBRGMMSA-N
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