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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Formula C24H49NO12
IUPAC Name ammonia; [(1s,2r,3r,4r,5s,6s)-3,5-dihydroxy-1-[(e,1r,2s)-2-methoxy-1-methyl-4-[[(2s)-4-methyl-3-oxo-2-furyl]oxy]but-3-enyl]-2,4,6-trimethyl-oct-7-enyl] acetate; tetrahydrate
Molecular Mass 543.645 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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