(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E)-2,13,15,17,27,29-Hexahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23-Dioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1~4,7~.0~5,28~]Triaconta-1(29),2,4,9,19,21,25,27-Octaene-26-Carbaldehyde

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Formula C36H45NO12
IUPAC Name (4z,6e,8s,9s,10r,11r,12r,13s,14s,15s,16e,19s)-9,11,13,23,25,27-hexahydroxy-15-methoxy-4,8,10,12,14,19,28-heptamethyl-3,20-dioxo-18,30-dioxa-2-azatetracyclo[17.6.5.021,29.022,26]triaconta-1(24),4,6,16,21(29),22,25,27-octaene-24-carbaldehyde
Molecular Mass 683.742 g·mol−1
Heat of Formation -2023.5 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 780.82 Å 3
Surface Area 529.24 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 25-deacetyl 3-formylrifamycin sv
  • 3-fdar
  • 3-formyl-25-desacetylrifamycin
  • rifamycin, 25-o-deacetyl-3-formyl-
CAS Number(s)
  • 16783-97-4
InChIKey GGZYOFVKHSKDIP-WSMWQBPRSA-N
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