2,7-(Epoxy[1,11,13]Pentadecatrienoimino)Naphtho[2,1-B]Furan-1,6,9,11(2H)-Tetrone, 21-(Acetyloxy)-5,17,19-Trihydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-

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Properties Simple | Detailed

Formula C37H45NO12
IUPAC Name [(4z,6e,8s,9s,10r,11r,12r,13s,14r,15s,16e,19s)-9,11,27-trihydroxy-15-methoxy-4,8,10,12,14,19,28-heptamethyl-3,20,23,25-tetraoxo-18,30-dioxa-2-azatetracyclo[17.6.5.021,29.022,26]triaconta-1(24),4,6,16,21(29),22(26),27-heptaen-13-yl] acetate
Molecular Mass 695.753 g·mol−1
Heat of Formation -1869.4 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 828.2 Å 3
Surface Area 583.96 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin
  • 2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,6,9,11(2h)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
  • rifamycin s
  • rifomycin s
CAS Number(s)
  • 13553-79-2
InChIKey BTVYFIMKUHNOBZ-ODRIEIDWSA-N
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