Gentamicin C1

Molecule SVG Image

Properties Simple | Detailed

Formula C21H43N5O7
IUPAC Name (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-[(1r)-1-methylaminoethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
Molecular Mass 477.595 g·mol−1
Heat of Formation -518.4 ± 16.7 kJ·mol−1
Dipole Moment 26.16 ± 1.08 D
Volume 573.97 Å 3
Surface Area 422.61 Å 2
HOMO Energy -5.20 ± 0.55 eV
LUMO Energy -3.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-[(1r)-1-methylaminoethyl]oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-[(1r)-1-methylaminoethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2r,3r,6s)-3-amino-6-[(1r)-1-methylaminoethyl]-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexoxy]-5-methyl-4-methylaminotetrahydropyran-3,5-diol
  • d-streptamine, o-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-.alpha.-d-ribo-heptopyranosyl-(1.fwdarw.4)-o-[3-deoxy-4-c-methyl-3-(methylamino)-.beta.-l-arabinopyranosyl-(1.fwdarw.6)]-2-deoxy-
  • d-streptamine, o-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-d-ribo-heptopyranosyl-(1-4)-o-(3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl-(1-6))-2-deoxy-
CAS Number(s)
  • 25876-10-2
InChIKey CEAZRRDELHUEMR-CAMVTXANSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N