ChemSpider 2D Image | N-[(Allyloxy)carbonyl]-D-aspartic acid | C8H11NO6

N-[(Allyloxy)carbonyl]-D-aspartic acid

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID37050857

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-[(allyloxy)carbonyl]-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[(2-propen-1-yloxy)carbonyl]- [ACD/Index Name]
N-[(Allyloxy)carbonyl]-D-asparaginsäure [German] [ACD/IUPAC Name]
N-[(Allyloxy)carbonyl]-D-aspartic acid [ACD/IUPAC Name]
142253-21-2 [RN]
MFCD24140450

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

Density: 1.4±0.1 g/cm3
Boiling Point: 382.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 185.1±27.9 °C
Index of Refraction: 1.512
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 157.6±3.0 cm3

Click to predict properties on the Chemicalize site


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