ChemSpider 2D Image | (2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide | C21H41N5O12

(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-3-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC21H41N5O12
  • Average mass555.576 Da
  • Monoisotopic mass555.275146 Da
  • ChemSpider ID23337259

  • 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,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-3-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-desoxy-α-D-glucopyranosyl)oxy]-3-[(5-amino-5-desoxy-β-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-désoxy-α-D-glucopyranosyl)oxy]-3-[(5-amino-5-désoxy-β-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-3-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]-2-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
5-O-(5-Amino-5-deoxy-β-D-ribofuranosyl)-1-N-[(S)-4-amino-2-hydroxy-butanoyl]paromamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511656/

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

Density: 1.6±0.1 g/cm3
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: 1.657
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.76
ACD/LogD (pH 5.5): -10.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 99.3±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement