(1S,4Ar,11R,11As,12As)-3-Acetyl-1-Amino-4,4A,6,7,11-Pentahydroxy-8,11-Dimethyl-11,11A,12,12A-Tetrahydro-2,5(1H,4Ah)-Tetracenedione

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Properties Simple | Detailed

Formula C22H23NO8
IUPAC Name (1s,4ar,11r,11as,12as)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
Molecular Mass 429.420 g·mol−1
Heat of Formation -1342.2 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 461.9 Å 3
Surface Area 380.9 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,11r,11as,12as)-1-amino-3-ethanoyl-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
  • (1s,4ar,11r,11as,12as)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
  • (1s,4ar,11r,11as,12as)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-quinone
  • 1,12(4h,5h)-naphthacenedione, 2-acetyl-4-amino-4a,5a,6,12a-tetrahydro-3,6,10,11,12a-pentahydroxy-6,9-dimethyl-, (4s-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • 2-dadmt
  • 2-decarboxamido-2-acetyl-4-dedimethyl-9-methyltetracycline
CAS Number(s)
  • 81919-29-1
InChIKey VNOIAPLEVDWURG-NYTGWIBTSA-N
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