3-Aminopropyl {(1R,2S,3S,4R,5S)-5-Amino-2-[(3-Amino-3-Deoxy-α-D-Glucopyranosyl)Oxy]-4-[(6-Amino-6-Deoxy-Beta-D-Glucopyranosyl)Oxy]-3-Hydroxycyclohexyl}Carbamate

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Properties Simple | Detailed

Formula C22H43N5O13
IUPAC Name 2-cyanoethynyl n-[(1r,3s)-3-amino-1-[(1s)-1-[(1s)-1-(1-formyl-2-oxo-vinyloxy)-2-oxo-ethoxy]-2-oxo-ethyl]-4-(2-oxoethoxy)butyl]carbamate; 2,3-dioxopropanoyl cyanide; formonitrile
Molecular Mass 585.603 g·mol−1
Heat of Formation -2484.9 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 662.94 Å 3
Surface Area 522.49 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-n-(3-aminopropoxycarbonyl)kanamycin a
  • 3-aminopropyl n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]carbamate
  • 3-aminopropyl n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate
  • 3-aminopropyl n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2s,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]carbamate
  • apc kanamycin a
  • d-streptamine, o-3-amino-3-deoxy-alpha-d-glucopyranosyl-(1-6)-o-(6-amino-6-deoxy-alpha-d-glucopyranosyl-(1-4))-n1-((3-aminopropoxy)carbonyl)-2-deoxy-
  • n-[(1r,2s,3s,4r,5s)-5-amino-2-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2s,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]carbamic acid 3-aminopropyl ester
  • n-[(1r,2s,3s,4r,5s)-5-amino-2-[[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-[[(2s,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-3-hydroxycyclohexyl]carbamic acid 3-aminopropyl ester
CAS Number(s)
  • 77987-52-1
InChIKey ROQXNMABMHKEAF-CSZWFTGISA-N
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