ChemSpider 2D Image | 3-(L-Altropyranosylthio)-2-chloropropanenitrile | C9H14ClNO5S

3-(L-Altropyranosylthio)-2-chloropropanenitrile

  • Molecular FormulaC9H14ClNO5S
  • Average mass283.729 Da
  • Monoisotopic mass283.028107 Da
  • ChemSpider ID57488050

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

3-(L-Altropyranosylthio)-2-chloropropanenitrile [ACD/IUPAC Name]
3-(L-Altropyranosylthio)-2-chloropropanenitrile [French] [ACD/IUPAC Name]
3-(L-Altropyranosylthio)-2-chlorpropannitril [German] [ACD/IUPAC Name]
Propanenitrile, 3-(L-altropyranosylthio)-2-chloro- [ACD/Index Name]
2'-CHLORO-2'-CYANOETHYL-1-THIO-SS-D-GALACTOPYRANOSIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 555.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 139 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 178.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement