(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-(L-Leucylamino)-α-L-Lyxo-Hexopyranoside

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Properties Simple | Detailed

Formula C33H40N2O12
IUPAC Name (2s)-2-amino-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]-4-methyl-pentanamide
Molecular Mass 656.677 g·mol−1
Heat of Formation -2063.2 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 740.49 Å 3
Surface Area 605.22 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-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]-4-methylpentanamide
  • (2s)-2-amino-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]-4-methyl-pentanamide
  • (2s)-2-amino-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]-4-methyl-pentanamide
  • (2s)-2-amino-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]-4-methyl-valeramide
  • (8s,10s)-10-((3-((s)-2-amino-4-methylvaleramido)-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • ct-012002
  • doxogenix l
  • e-88/032
  • l-adr
  • leu-dox
  • leurubicin
  • n-leucyldoxorubicin
  • rp-39937
CAS Number(s)
  • 70774-25-3
InChIKey HROXIDVVXKDCBD-ZUWKMVCBSA-N
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