(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 2,3,6-Trideoxy-3-{[(4-Hydroxyphenoxy)Acetyl]Amino}-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C35H35NO14
IUPAC Name n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]-2-(4-hydroxyphenoxy)acetamide
Molecular Mass 693.651 g·mol−1
Heat of Formation -2141.1 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 757.88 Å 3
Surface Area 609.85 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((4-hydroxyphenoxy)acetyl)amino)-alpha-l-lyxo-hexopyranosyl)oxy)-, (8s-cis)-
  • doxorubicin-n-4-hydroxyphenoxyacetamide
  • n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-tetrahydropyranyl]-2-(4-hydroxyphenoxy)acetamide
  • n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]tetrahydropyran-4-yl]-2-(4-hydroxyphenoxy)acetamide
  • n-[(2s,3s,4s,6r)-3-hydroxy-2-methyl-6-[[(1s,3s)-3,5,12-trihydroxy-3-(2-hydroxyethanoyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]oxan-4-yl]-2-(4-hydroxyphenoxy)ethanamide
  • n-[(2s,3s,4s,6r)-6-[[(1s,3s)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1h-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2-(4-hydroxyphenoxy)acetamide
  • p-dpo
CAS Number(s)
  • 131089-08-2
InChIKey GNIACNJUQXXBPR-BPESXHNNSA-N
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