ChemSpider 2D Image | Dibekacin | C18H38N6O7

Dibekacin

  • Molecular FormulaC18H38N6O7
  • Average mass450.530 Da
  • Monoisotopic mass450.280212 Da
  • ChemSpider ID29272003

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-2,4,6-Triamino-3-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]cyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-2,4,6-Triamino-3-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]cyclohexyl-2,6-diamino-2,3,4,6-tetradesoxy-α-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
1217471-25-4 [RN]
2,6-Diamino-2,3,4,6-tétradésoxy-α-D-érythro-hexopyranoside de (1R,2S,3S,4R,6S)-2,4,6-triamino-3-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]cyclohexyle [French] [ACD/IUPAC Name]
34493-98-6 [RN]
Dibekacin [Wiki]
α-D-erythro-Hexopyranoside, (1R,2S,3S,4R,6S)-2,4,6-triamino-3-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]cyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy- [ACD/Index Name]
(2R,3R,4S,5S,6R)-4-Amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
(2R,3S,4S,5R,6S)-4-amino-2-(hydroxymethyl)-6-(((1S,2S,3R,4S,6R)-2,4,6-triamino-3-(((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)tetrahydro-2H-pyran-3,5-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 15
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -11.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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