N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-Dimethoxy-6,17,21-Trimethyl-5,8,14-Trioxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15,17,19-Pentaen-10-Yl]Methyl}-2-Oxopropanamide

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Formula C28H31N3O9
IUPAC Name n-{[(1s,2s,10r,13s)-16,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-2-oxopropanamide
Molecular Mass 553.560 g·mol−1
Heat of Formation -1221.8 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 620.21 Å 3
Surface Area 484.75 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • propanamide, n-((6,7,9,10,13,14,14a,15-octahydro-1,4-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-5,10,13-trioxo-6,15-imino-5h-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-oxo-, (6r-(6-alpha,9-beta,14a-alpha,15-alpha))-
  • saframycin d
CAS Number(s)
  • 66082-30-2
InChIKey JRGSNFZUTBSLSG-ZKNHNOBHSA-N
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