ChemSpider 2D Image | (2S)-4-Amino-2-hydroxy-N-{(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]cyclohexyl}butanamide | C13H23N5O6

(2S)-4-Amino-2-hydroxy-N-{(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]cyclohexyl}butanamide

  • Molecular FormulaC13H23N5O6
  • Average mass345.352 Da
  • Monoisotopic mass345.164825 Da
  • ChemSpider ID31139919
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-4-Amino-2-hydroxy-N-{(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]cyclohexyl}butanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-2-hydroxy-N-{(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]cyclohexyl}butanamide [ACD/IUPAC Name]
(2S)-4-Amino-2-hydroxy-N-{(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]cyclohexyl}butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-2-hydroxy-N-[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]cyclohexyl]-, (2S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -6.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 87.1±7.0 dyne/cm
Molar Volume: 190.3±7.0 cm3

Click to predict properties on the Chemicalize site






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