ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-3-thiophenyl)aspartic acid | C8H13NO6S

N-(1,1-Dioxidotetrahydro-3-thiophenyl)aspartic acid

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID21785240

More details:

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

Acide N-(1,1-dioxydotétrahydro-3-thiophényl)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)asparaginsäure [German] [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)aspartic acid [ACD/IUPAC Name]
2-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-ylamino)-succinic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 52.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 160.5±5.0 cm3

Click to predict properties on the Chemicalize site


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