(1S,3S)-3,5,12-Trihydroxy-3-[(1S)-1-Hydroxyethyl]-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 C27H31NO10
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-[(1s)-1-hydroxyethyl]-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 529.536 g·mol−1
Heat of Formation -1630.9 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 581.02 Å 3
Surface Area 459.43 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (13s)-13-dihydrodaunorubicin
  • lmpk02000051
InChIKey HJEZFVLKJYFNQW-PRFXOSGESA-N
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