ChemSpider 2D Image | N-(5,6-Dihydro-1,4-dioxin-2-ylcarbonyl)-D-aspartic acid | C9H11NO7

N-(5,6-Dihydro-1,4-dioxin-2-ylcarbonyl)-D-aspartic acid

  • Molecular FormulaC9H11NO7
  • Average mass245.186 Da
  • Monoisotopic mass245.053558 Da
  • ChemSpider ID37050514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[(5,6-dihydro-1,4-dioxin-2-yl)carbonyl]- [ACD/Index Name]
N-(5,6-Dihydro-1,4-dioxin-2-ylcarbonyl)-D-asparaginsäure [German] [ACD/IUPAC Name]
N-(5,6-Dihydro-1,4-dioxin-2-ylcarbonyl)-D-aspartic acid [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 494.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.74
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): -5.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 159.0±3.0 cm3

Click to predict properties on the Chemicalize site


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