(1S,2R,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2H-Pyran-2-Yl]Oxy}-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-β-L-Arabinopyranoside

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Properties Simple | Detailed

Formula C19H37N5O7
IUPAC Name (2r,3r,4r,5r)-2-[(1s,2r,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
Molecular Mass 447.526 g·mol−1
Heat of Formation -1244.5 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 525.57 Å 3
Surface Area 414.94 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-[(1s,2r,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2r,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2r,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexoxy]-5-methyl-4-methylaminotetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2r,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
  • 5-epi-sisomicin
  • 5-episisomicin
  • d-myo-inositol, o-3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1->1)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-
  • d05425
  • mutamicin 6
  • mutamycin 6
  • o-3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1->1)-o-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-d-myo-inositol
  • pentisomicin
  • pentisomicin (usan)
  • sch 22591
CAS Number(s)
  • 55870-64-9
InChIKey URWAJWIAIPFPJE-VHLNBGGKSA-N
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