ChemSpider 2D Image | 3-Iodo-D-alanine | C3H6INO2

3-Iodo-D-alanine

  • Molecular FormulaC3H6INO2
  • Average mass214.990 Da
  • Monoisotopic mass214.944305 Da
  • ChemSpider ID61641419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Iod-D-alanin [German] [ACD/IUPAC Name]
3-Iodo-D-alanine [ACD/IUPAC Name]
3-Iodo-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-iodo- [ACD/Index Name]
1932562-11-2 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 301.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.5±6.0 kJ/mol
Flash Point: 135.9±26.5 °C
Index of Refraction: 1.629
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 95.6±3.0 cm3

Click to predict properties on the Chemicalize site


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