(1S,3S)-3-Ethyl-3,5,10,12-Tetrahydroxy-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 (3z,5s,7s)-5-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-ethyl-7,9,10-trihydroxy-3-(hydroxymethylene)-6,8-dihydro-5h-anthracene-1,4-dione
Molecular Mass 499.510 g·mol−1
Heat of Formation -1590.2 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 544.69 Å 3
Surface Area 437.54 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-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-9-ethyl-4,6,9,11-tetrahydroxy-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-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 13-deoxycarminomycin
CAS Number(s)
  • 76034-18-9
InChIKey UHYFCDBUKBJSFA-JYFLSIMMSA-N
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