ChemSpider 2D Image | N~2~-[(2,4-Dihydroxyphenyl)acetyl]-D-asparagine | C12H14N2O6

N2-[(2,4-Dihydroxyphenyl)acetyl]-D-asparagine

  • Molecular FormulaC12H14N2O6
  • Average mass282.249 Da
  • Monoisotopic mass282.085175 Da
  • ChemSpider ID32821866

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Asparagine, N2-[2-(2,4-dihydroxyphenyl)acetyl]- [ACD/Index Name]
N2-[(2,4-Dihydroxyphenyl)acetyl]-D-asparagin [German] [ACD/IUPAC Name]
N2-[(2,4-Dihydroxyphenyl)acetyl]-D-asparagine [ACD/IUPAC Name]
N2-[2-(2,4-Dihydroxyphényl)acétyl]-D-asparagine [French] [ACD/IUPAC Name]
(R)-4-amino-2-(2-(2,4-dihydroxyphenyl)acetamido)-4-oxobutanoic acid
111872-98-1 [RN]
2,4-Dihydroxyphenylacetyl-L-asparagine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 779.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.1±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -3.90
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: 150 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 186.9±3.0 cm3

Click to predict properties on the Chemicalize site


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