5-Iminodaunorubicin

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Properties Simple | Detailed

Formula C27H30N2O9
IUPAC Name (1s,3s)-3-acetyl-11-amino-1-[(2r,4s,5s,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 -1366.3 ± 16.7 kJ·mol−1
Dipole Moment 8.93 ± 1.08 D
Volume 583.85 Å 3
Surface Area 466.61 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-11-amino-1-[(2r,4s,5s,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,3s)-3-acetyl-11-amino-1-[(2r,4s,5s,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,3s)-3-acetyl-11-amino-1-[(2r,4s,5s,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,3s)-3-acetyl-11-amino-1-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
  • (1s,3s)-3-acetyl-11-amino-1-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3,6-dihydroxy-10-methoxy-2,4-dihydro-1h-tetracene-5,12-dione
  • (8s-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-(hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-5(8h)-naphthacenone
  • 5(8h)-naphthacenone der.
  • 5-id
InChIKey IJKBFKGHBSORFS-HPTNQIKVSA-N
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