(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-Amino-2-Bromo-2,3,6-Trideoxy-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C27H28BrNO10
IUPAC Name (7s,9s)-9-acetyl-7-[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 606.416 g·mol−1
Heat of Formation -1535.1 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 601.11 Å 3
Surface Area 475.62 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[[(2r,3r,4r,5r,6s)-4-amino-3-bromo-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 2'-bromo-4'-epidaunorubicin
  • 5,12-naphthacenedione, 8-acetyl-10-((3-amino-2-bromo-2,3,6-trideoxy-alpha-l-mannopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s,10s)-
  • daunomycin derivative
  • daunorubicin derivative
  • dm8
  • wp401
CAS Number(s)
  • 155029-34-8
InChIKey RNTSDANIDLGPLQ-VQBVCDDFSA-N
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