ChemSpider 2D Image | Fructose-alanine | C9H17NO7

Fructose-alanine

  • Molecular FormulaC9H17NO7
  • Average mass251.234 Da
  • Monoisotopic mass251.100494 Da
  • ChemSpider ID31046437

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-{[(3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-oxohexyl]amino}propanoic acid [ACD/IUPAC Name]
(2S)-2-{[(3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-oxohexyl]amino}propansäure [German] [ACD/IUPAC Name]
16124-24-6 [RN]
Acide (2S)-2-{[(3S,4R,5R)-3,4,5,6-tétrahydroxy-2-oxohexyl]amino}propanoïque [French] [ACD/IUPAC Name]
D-Fructose, 1-[[(1S)-1-carboxyethyl]amino]-1-deoxy- [ACD/Index Name]
Fructose-alanine
Fructose-alanine (mixture of diastereomers)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 327.4±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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