ChemSpider 2D Image | N-(Allylsulfonyl)-D-aspartic acid | C7H11NO6S

N-(Allylsulfonyl)-D-aspartic acid

  • Molecular FormulaC7H11NO6S
  • Average mass237.230 Da
  • Monoisotopic mass237.030701 Da
  • ChemSpider ID37051722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(allylsulfonyl)-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-(2-propen-1-ylsulfonyl)- [ACD/Index Name]
N-(Allylsulfonyl)-D-asparaginsäure [German] [ACD/IUPAC Name]
N-(Allylsulfonyl)-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: 407.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 200.4±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 50.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 158.7±3.0 cm3

Click to predict properties on the Chemicalize site


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