Aquayamycin

Molecule SVG Image

Properties Simple | Detailed

Formula C25H26O10
IUPAC Name (3r,4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Molecular Mass 486.468 g·mol−1
Heat of Formation -1598.5 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 528.26 Å 3
Surface Area 428.87 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (3r,4ar,12bs)-9-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • 9-(2,6-dideoxy-beta-d-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methylbenz(a)anthracene-1,7,12(2h)-trione (3r-(3alpha,4aalpha,12balpha))-
  • 9-(tetrahydro-4',5'-dihydroxy-6'-methyl-2'h-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2h)-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 9-(2,6-dideoxy-beta-d-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-, (3r-(3alpha,4aalpha,12balpha))-
  • benz(a)anthracene-1,7,12-(2h)-trione, 3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-9-(tetrahydro-4,5-dihydroxy-6-methyl-2h-pyran-2-yl)-
  • benz[a]anthracene-1,7,12(2h)-trione, 9-(2,6-dideoxy-.beta.-d-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-,(3r,4ar,12bs)-
  • urdamycinone a
CAS Number(s)
  • 26055-63-0
InChIKey KCOULPRVOZDQEL-IFNZWHIZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O