ChemSpider 2D Image | (1R,2R,3S,4R,6S)-6-Ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diammonio-2,6-dideoxy-alpha-D-glucopyranoside | C21H45N5O12

(1R,2R,3S,4R,6S)-6-Ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diammonio-2,6-dideoxy-α-D-glucopyranoside

  • Molecular FormulaC21H45N5O12
  • Average mass559.606 Da
  • Monoisotopic mass559.304260 Da
  • ChemSpider ID28532811

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-6-Ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl 2,6-diammonio-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-6-Ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyl-2,6-diammonio-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diammonio-2,6-didésoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-6-ammonio-4-{[(2S)-4-ammonio-2-hydroxybutanoyl]amino}-3-hydroxy-2-(β-D-ribofuranosyloxy)cyclohexyle [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-3-(β-D-ribofuranosyloxy)cyclohexyl]-2-hydroxy-, conjugate tetraacid, (2S)- [ACD/Index Name]
Butirosin B
butirosin B(4+)
butirosin B(4+)utirosin B
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the four free amino groups of butirosin B; major species at pH 7.3. ChEBI CHEBI:65085

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

Density:
Boiling Point: 947.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.4±6.0 kJ/mol
Flash Point: 526.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.21
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): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 318 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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