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Search term: LUOBXIQBNLZMSP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[(N-Butyl-N-methyl-beta-alanyl)amino]-2-deoxy-D-threo-hexopyranose | C14H28N2O6

2-[(N-Butyl-N-methyl-β-alanyl)amino]-2-deoxy-D-threo-hexopyranose

  • Molecular FormulaC14H28N2O6
  • Average mass320.382 Da
  • Monoisotopic mass320.194733 Da
  • ChemSpider ID34755796
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

2-[(N-Butyl-N-methyl-β-alanyl)amino]-2-deoxy-D-threo-hexopyranose [ACD/IUPAC Name]
2-[(N-Butyl-N-methyl-β-alanyl)amino]-2-desoxy-D-threo-hexopyranose [German] [ACD/IUPAC Name]
2-[(N-Butyl-N-méthyl-β-alanyl)amino]-2-désoxy-D-thréo-hexopyranose [French] [ACD/IUPAC Name]
D-threo-Hexopyranose, 2-[[3-(butylmethylamino)-1-oxopropyl]amino]-2-deoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 251.0±5.0 cm3

Click to predict properties on the Chemicalize site






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