(3S)-3,5,12-Trihydroxy-3-[(1S)-1-Hydroxyethyl]-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 C26H29NO9
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]-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 499.510 g·mol−1
Heat of Formation -1562.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 547.68 Å 3
Surface Area 435.13 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey KMIBSUUWQWSRQV-BAYOIBAISA-N
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