6'-N-Propylspectinomycin

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Properties Simple | Detailed

Formula C17H30N2O7
IUPAC Name (1r,3s,5r,8r,10r,11s,12s,13r,14s)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
Molecular Mass 374.429 g·mol−1
Heat of Formation -1299.5 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 446.6 Å 3
Surface Area 380.29 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-2-butyldecahydro-4a,7,9- trihydroxy-6,8-bis(methylamino)-4h-pyrano[2,3-b][1, 4]benzodioxin-4-one
  • 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2r-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-
  • 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-
  • 4h-pyrano[2,3-b][1,4]benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-
  • 88669-04-9 (free base)
  • 88851-61-0 (monosulfate pentahydrate)
  • spectinomycin deriv u6633f(b)
  • trospectinomycin
  • trospectomicina [spanish]
  • trospectomycin
  • trospectomycinum [latin]
  • u-63,366f
  • u6633(f)b
CAS Number(s)
  • 88669-04-9
InChIKey KHAUBYTYGDOYRU-IRXASZMISA-N
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