ChemSpider 2D Image | (2S)-2-Ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-ox opentanoate | C26H51N6O15

(2S)-2-Ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-ox opentanoate

  • Molecular FormulaC26H51N6O15
  • Average mass687.713 Da
  • Monoisotopic mass687.339600 Da
  • ChemSpider ID28532812

  • Charge - Charge

    defined stereocentres - 16 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-ox opentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-didesoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-o xopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-didésoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-o xopentanoate [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-6-amino-4-[[(2S)-4-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-2-hydroxy-1-oxobutyl]amino]-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dide oxy-, inner salt, conjugate triacid [ACD/Index Name]
(2R)-2-ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-ox
(2R)-2-ammonio-5-{[(3S)-4-{[(1R,2S,3R,4R,5S)-5-ammonio-4-[(2,6-diammonio-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]amino}-3-hydroxy-4-oxobutyl]amino}-5-oxopentanoate
opentanoate
γ-L-glutamyl-butirosin B
γ-L-glutamylbutirosin B(3+)
γ-L-glutamylbutirosin B(3+)amma-L-glutamyl-butirosin B
  • Miscellaneous

    • Chemical Class:

      A primary ammonium ion obtained by protonation of the four amino groups and deprotonation of the carboxy group of gamma-L-glutamylbutirosin B; major species at pH 7.3. ChEBI CHEBI:65086
      An organic cation obtained by protonation of the four amino groups and deprotonation of the carboxy group of gamma-L-glutamylbutirosin B; major species at pH 7.3. ChEBI CHEBI:65086

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 1125.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.3±6.0 kJ/mol
Flash Point: 634.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 18
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 387 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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