(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-(4-Morpholinyl)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C31H35NO12
IUPAC Name (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 613.609 g·mol−1
Heat of Formation -1840.0 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 669.65 Å 3
Surface Area 529.61 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-6,9,11-trihydroxy-7-[[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-morpholino-2-tetrahydropyranyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-7-[(2r,4s,5s,6s)-5-hydroxy-6-methyl-4-morpholin-4-yl-oxan-2-yl]oxy-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-morpholino-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • 3'-deamino-3'-(4-morpholinyl)daunorubicin
  • 3'-deamino-3'-morpholino-adriamycin
  • 3'-morpholino-3'-deaminodaunorubicin
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-morpholino-alpha-l-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-
  • morpholinyl doxorubicin
CAS Number(s)
  • 80790-68-7
InChIKey SXCIMUIAZXOVIR-PUCKCBAPSA-N
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