Carubicin

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Properties Simple | Detailed

Formula C26H27NO10
IUPAC Name (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 513.493 g·mol−1
Heat of Formation -1680.7 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 555.13 Å 3
Surface Area 445.84 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside
  • (7s,9s)-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-acetyl-7-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (7s,9s)-9-acetyl-7-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4,6,9,11-tetrahydroxy-8,10-dihydro-7h-tetracene-5,12-dione
  • 5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, (8s,10s)-
  • carminomycin, o-demethyldaunomycin, ccris 961
  • stock1n-41435
InChIKey XREUEWVEMYWFFA-CSKJXFQVSA-N
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