ChemSpider 2D Image | (2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-{[4,6-dideoxy-6-(methylamino)-alpha-D-xylo-hexopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide | C23H45N5O12

(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-{[4,6-dideoxy-6-(methylamino)-α-D-xylo-hexopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide

  • Molecular FormulaC23H45N5O12
  • Average mass583.630 Da
  • Monoisotopic mass583.306458 Da
  • ChemSpider ID109374

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-{[4,6-dideoxy-6-(methylamino)-α-D-xylo-hexopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-{[4,6-didesoxy-6-(methylamino)-α-D-xylo-hexopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]-4-{[4,6-didésoxy-6-(méthylamino)-α-D-xylo-hexopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[[4,6-dideoxy-6-(methylamino)-α-D-xylo-hexopyranosyl]oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
4'-Deoxy-6'-N-methylamikacin
71398-14-6 [RN]
Antibiotic BBK 311
BB-K311
D-Streptamine, O-3-amino-3-deoxy-α-D-glucopyranosyl-(1-6)-O-(4,6-dideoxy-6-(methylamino)-α-D-xylo-hexopyranosyl-(1-4)-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 941.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.4±6.0 kJ/mol
Flash Point: 523.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 15
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -10.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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