(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-(2,3-Dihydro-1H-Pyrrol-1-Yl)-α-L-Lyxo-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C31H33NO11
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-[(1r)-2,3-dihydropyrrol-1-yl]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 595.594 g·mol−1
Heat of Formation -1664.7 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 649.29 Å 3
Surface Area 520.04 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-glycoloyl-6,9,11-trihydroxy-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-(2-pyrrolin-1-yl)tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • 2-pyrrolino-dox
  • 2-pyrrolinodoxorubicin
  • 3'-deamino-3'-(2''-pyrroline-1''-yl)doxorubicin trifluoroacetate
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2,3-dihydro-1h-pyrrol-1-yl)-alpha-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • an 201
  • an 204
  • an-204
CAS Number(s)
  • 175795-76-3
InChIKey NOPNWHSMQOXAEI-PUCKCBAPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N