ChemSpider 2D Image | N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinyl]methyl}-1H-indole-2-carboxamide | C16H21N3O4

N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinyl]methyl}-1H-indole-2-carboxamide

  • Molecular FormulaC16H21N3O4
  • Average mass319.356 Da
  • Monoisotopic mass319.153198 Da
  • ChemSpider ID25058631

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl]- [ACD/Index Name]
N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinyl]methyl}-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinyl]methyl}-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-{[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-méthyl-2-pipéridinyl]méthyl}-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
N-{[(2r,3r,4r,5r,6s)-3,4,5-Trihydroxy-6-Methylpiperidin-2-Yl]methyl}-1h-Indole-2-Carboxamide
ZX7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.72
Polar Surface Area: 118 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement