(1S,3R)-3-Acetyl-11-Amino-3,6-Dihydroxy-10-Methoxy-5,12-Dioxo-1,2,3,4,5,12-Hexahydro-1-Tetracenyl 3-Amino-2,3,6-Trideoxy-α-L-Arabino-Hexopyranoside

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Properties Simple | Detailed

Formula C27H30N2O9
IUPAC Name (1s,3r)-3-acetyl-11-amino-1-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
Molecular Mass 526.535 g·mol−1
Heat of Formation -1429.1 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 582.81 Å 3
Surface Area 445.01 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r)-11-amino-1-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-3-ethanoyl-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
  • (1s,3r)-3-acetyl-11-amino-1-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
  • (1s,3r)-3-acetyl-11-amino-1-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-quinone
  • (1s,3r)-3-acetyl-11-amino-1-[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
  • (1s,3r)-3-acetyl-11-amino-1-[[(2r,4s,5r,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
InChIKey IJKBFKGHBSORFS-RUHBSJOASA-N
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