(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,6-Dideoxy-α-L-Lyxo-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C27H28O11
IUPAC Name formaldehyde; 2-(2-hydroxyethynyl)indeno[5,6-e][1,3]benzodioxole-6,7,8,9,10-pentone; prop-1-yn-1-ol
Molecular Mass 528.505 g·mol−1
Heat of Formation -1829.3 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 578.18 Å 3
Surface Area 462.54 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-alpha-l-lyxo-hexopyranoside
  • (7s,9s)-7-[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,4s,5s,6s)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 8-acetyl-10-((2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s-cis)-
  • hydroxydaunorubicin
CAS Number(s)
  • 64842-75-7
InChIKey QAFPIRVGDWNCDV-VGBVRHCVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O