ChemSpider 2D Image | Deoxyfructosylglutamine | C11H20N2O8

Deoxyfructosylglutamine

  • Molecular FormulaC11H20N2O8
  • Average mass308.285 Da
  • Monoisotopic mass308.121979 Da
  • ChemSpider ID59051628

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-5-Amino-5-oxo-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-5-Amino-5-oxo-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-5-amino-5-oxo-2-({[(2R,3S,4R,5R)-2,3,4,5-tétrahydroxytétrahydro-2H-pyran-2-yl]méthyl}amino)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Deoxyfructosylglutamine
β-D-Fructopyranose, 1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-1-deoxy- [ACD/Index Name]
92755-70-9 [RN]
SNW

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

Density: 1.6±0.1 g/cm3
Boiling Point: 673.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -4.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

Click to predict properties on the Chemicalize site


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