1609-Rb

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Properties Simple | Detailed

Formula C32H37NO12
IUPAC Name (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2r)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 627.636 g·mol−1
Heat of Formation -1949.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 694.06 Å 3
Surface Area 556.07 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2r)-oxan-2-yl]oxy-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2r)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2r)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-6-methyl-5-[(2r)-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-7-[[(2r,4s,5s,6s)-4-amino-6-methyl-5-[[(2r)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
InChIKey KMSKQZKKOZQFFG-YXRRJAAWSA-N
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