ChemSpider 2D Image | 2-{[(3S)-3-(Aminomethyl)-5-methylhexanoyl]amino}-2-deoxy-D-mannopyranose | C14H28N2O6

2-{[(3S)-3-(Aminomethyl)-5-methylhexanoyl]amino}-2-deoxy-D-mannopyranose

  • Molecular FormulaC14H28N2O6
  • Average mass320.382 Da
  • Monoisotopic mass320.194733 Da
  • ChemSpider ID24672947

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-{[(3S)-3-(Aminomethyl)-5-methylhexanoyl]amino}-2-deoxy-D-mannopyranose [ACD/IUPAC Name]
2-{[(3S)-3-(Aminomethyl)-5-methylhexanoyl]amino}-2-desoxy-D-mannopyranose [German] [ACD/IUPAC Name]
2-{[(3S)-3-(Aminométhyl)-5-méthylhexanoyl]amino}-2-désoxy-D-mannopyranose [French] [ACD/IUPAC Name]
D-Mannopyranose, 2-[[(3S)-3-(aminomethyl)-5-methyl-1-oxohexyl]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: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 249.4±5.0 cm3

Click to predict properties on the Chemicalize site


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