(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-4-O-[(2S)-Tetrahydro-2H-Pyran-2-Yl]-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C32H37NO12
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2s)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 627.636 g·mol−1
Heat of Formation -1969.1 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 693.75 Å 3
Surface Area 556.38 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2s)-oxan-2-yl]oxy-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-amino-6-methyl-5-[(2s)-oxan-2-yl]oxyoxan-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-amino-6-methyl-5-[(2s)-tetrahydropyran-2-yl]oxy-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-amino-6-methyl-5-[(2s)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-6-methyl-5-[[(2s)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • d01885
  • pirarubicin
  • pirarubicin (jp15/inn)
  • therarubicin
InChIKey KMSKQZKKOZQFFG-HSUXVGOQSA-N
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