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Search term: SOHCMNMIHBITMP-RULNCXCMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Butyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]acetamide | C12H24N2O4

N-Butyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]acetamide

  • Molecular FormulaC12H24N2O4
  • Average mass260.330 Da
  • Monoisotopic mass260.173615 Da
  • ChemSpider ID30839659

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Piperidineacetamide, N-butyl-3,4,5-trihydroxy-6-methyl-, (2R,3R,4R,5R,6S)- [ACD/Index Name]
N-Butyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]acetamid [German] [ACD/IUPAC Name]
N-Butyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]acetamide [ACD/IUPAC Name]
N-Butyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyl-2-pipéridinyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.97
Polar Surface Area: 102 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

Click to predict properties on the Chemicalize site


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