(1S,3R)-3-Glycoloyl-5,12-Dihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C27H29NO10
IUPAC Name (8r,10s)-10-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Molecular Mass 527.520 g·mol−1
Heat of Formation -1610.6 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 582.44 Å 3
Surface Area 469.15 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,10s)-10-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyethanoyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
  • (8r,10s)-10-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
  • (8r,10s)-10-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-glycoloyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-quinone
  • (8r,10s)-10-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,11-dihydroxy-8-(2-hydroxy-1-oxoethyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
  • 5,12-naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8r-trans)-
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8r-trans)-
  • 9-deoxydoxorubicin
CAS Number(s)
  • 84519-42-6
InChIKey KXAYNEKSZHDBGO-LOGLVVABSA-N
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