(1S,2S,3S,4S,5R,6R)-4-({5-Deoxy-2-O-[2-Deoxy-2-(Methylamino)-α-L-Glucopyranosyl]-3-C-(Hydroxymethyl)-α-L-Lyxofuranosyl}Oxy)-3-[(Diaminomethylene)Amino]-2,5,6-Trihydroxycyclohexyl Carbamate

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Properties Simple | Detailed

Formula C21H39N5O14
IUPAC Name (1r,2r,3s,4s,5s,6s)-5-[bis(λ1-azanyl)methyleneamino]-3-λ1-azanylcarbonyloxy-6-[(2r,3r,4r,5s)-5-methyl-3-[(2s,3s,4s,5r,6s)-3-methylazanidyl-4,5-dioxido-6-(oxidomethyl)tetrahydropyran-3,4,5,6-tetraid-2-yl]oxy-4-oxido-4-(oxidomethyl)tetrahydrofuran-2-yl]oxy-cyclohexane-1,2,4-triolate
Molecular Mass 585.559 g·mol−1
Heat of Formation -2602.3 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 658.23 Å 3
Surface Area 479.62 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2s,3s,4s,5r,6r)-3-(diaminomethylideneamino)-4-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-oxolan-2-yl]oxy-2,5,6-trihydroxy-cyclohexyl] carbamate
  • [(1s,2s,3s,4s,5r,6r)-3-(diaminomethylideneamino)-4-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl] carbamate
  • [(1s,2s,3s,4s,5r,6r)-4-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-3-guanidino-2,5,6-trihydroxy-cyclohexyl] carbamate
  • antibiotic obtained from cultures of streptomyces verticillus, or the same substance produced by any other means
  • bluensin
  • carbamic acid [(1s,2s,3s,4s,5r,6r)-4-[(2r,3r,4r,5s)-3-[(2s,3s,4s,5r,6s)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methyl-4-methylol-tetrahydrofuran-2-yl]oxy-3-guanidino-2,5,6-trihydroxy-cyclohexyl] ester
  • carbamic acid [(1s,2s,3s,4s,5r,6r)-4-[[(2r,3r,4r,5s)-3-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-tetrahydrofuranyl]oxy]-3-guanidino-2,5,6-trihydroxycyclohexyl] ester
  • d-scyllo-inositol, o-2-deoxy-2-(methylamino)-.alpha.-l-glucopyranosyl-(1.fwdarw.2)-o-5-deoxy-3-c-(hydroxymethyl)-.alpha.-l-lyxofuranosyl-(1.fwdarw.2)-1-[(aminoiminomethyl)amino]-1-deoxy-, 5-carbamate
  • d-scyllo-inositol, o-2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl-(1=>2)-o-5-deoxy-3-c-(hydroxymethyl)-alpha-l-lyxofuranosyl-(1=>2)-1-((aminoiminomethyl)amino)-1-deoxy-, 5-carbamate
  • u 12898
  • u 12898d
  • u-12898
CAS Number(s)
  • 11011-72-6
  • 521060-91-3
InChIKey RQLDKUSQKQMFCN-DOOXDOMHSA-N
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