(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-Hexahydro-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1-Naphthacenyl 2,3,6-Trideoxy-3-((S)-2-Methoxymorpholino)-A-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C32H37NO13
IUPAC Name (7s,9s)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2r,4s,5s,6s)-5-hydroxy-4-[(2s,4r)-2-methoxymorpholin-4-yl]-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 643.635 g·mol−1
Heat of Formation -2090.0 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 700.48 Å 3
Surface Area 557.56 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-((s)-2-methoxymorpholino)-alpha-l-lyxo-hexopyranoside
  • (7s,9s)-6,9,11-trihydroxy-7-[[(2r,4s,5s,6s)-5-hydroxy-4-[(2s)-2-methoxy-4-morpholinyl]-6-methyl-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-4-[(2s)-2-methoxymorpholin-4-yl]-6-methyl-tetrahydropyran-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-4-[(2s)-2-methoxymorpholin-4-yl]-6-methyloxan-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-4-[(2s)-2-methoxymorpholin-4-yl]-6-methyl-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-4-[(2s)-2-methoxymorpholin-4-yl]-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2-methoxy-4-morpholinyl)-alpha-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • methoxymorpholino-doxorubicin
  • methoxymorpholinyl doxorubicin hydrochloride
  • pnu-152243
CAS Number(s)
  • 108852-90-0
InChIKey CTMCWCONSULRHO-UHQPFXKFSA-N
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