6-Hydroxy-1-Methyl-5,12-Dioxo-5,12-Dihydrobenzo[H]Chromeno[5,4,3-Cde]Chromen-10-Yl 2-O-(2-Acetamido-2,6-Dideoxy-3-O-Methyl-α-D-Galactopyranosyl)-6-Deoxy-3-C-Methyl-Beta-D-Galactopyranoside

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Properties Simple | Detailed

Formula C35H39NO14++
IUPAC Name 6-hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 2-o-(2-acetamido-2,6-dideoxy-3-o-methyl-α-d-galactopyranosyl)-6-deoxy-3-c-methyl-beta-d-galactopyranoside
Molecular Mass 697.682 g·mol−1
Heat of Formation -2319.3 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 757.29 Å 3
Surface Area 535.66 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-o-(2-(acetylamino)-2,6-dideoxy-3-o-methyl-alpha-d-galactopyranosyl)-6-deoxy-3-c-methyl-beta-d-galactopyranosyl)oxy)-6-hydroxy-1-methyl-
  • n-acetylelsamicin a
CAS Number(s)
  • 106544-47-2
InChIKey GWXIRWREUUJNER-OTYLROTQSA-N
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