ChemSpider 2D Image | (2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-D-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide | C22H43N5O12

(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide

  • Molecular FormulaC22H43N5O12
  • Average mass569.603 Da
  • Monoisotopic mass569.290833 Da
  • ChemSpider ID9310667

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide [ACD/IUPAC Name]
(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-desoxy-α-D-glucopyranosyl)oxy]-2-{[3-desoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamid [German] [ACD/IUPAC Name]
(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-désoxy-α-D-glucopyranosyl)oxy]-2-{[3-désoxy-4-C-méthyl-3-(méthylamino)-β-D-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-[[3-deoxy-4-C-methyl-3-(methylamino)-β-D-arabinopyranosyl]oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2 S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 926.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.0±6.0 kJ/mol
Flash Point: 514.3±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 15
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -9.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 90.9±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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