ChemSpider 2D Image | (2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxy(~2~H_5_)butanamide | C22H38D5N5O13

(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxy(2H5)butanamide

  • Molecular FormulaC22H38D5N5O13
  • Average mass590.633 Da
  • Monoisotopic mass590.317139 Da
  • ChemSpider ID107442046

  • defined stereocentres - 16 of 16 defined stereocentres

    Non-standard isotope - Non-standard isotope

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-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxy(2H5)butanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-desoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxy(2H5)butanamid [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-[(6-amino-6-désoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxy(2H5)butanamide [French] [ACD/IUPAC Name]
Butanamide-2,3,3,4,4-d5, 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 981.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.2±6.0 kJ/mol
Flash Point: 547.6±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 363.9±5.0 cm3

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