(1S,3S)-3-[(1S)-1,2-Dihydroxyethyl]-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Arabino-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31NO11
IUPAC Name (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 545.535 g·mol−1
Heat of Formation -1768.4 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 590.06 Å 3
Surface Area 469.38 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 13-dihydro-4'-epidoxorubicin
  • 5,12-naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-l-arabino-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
CAS Number(s)
  • 76155-56-1
InChIKey NKZRZOVSJNSBFR-QXAZHNFISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N