ChemSpider 2D Image | (1R,2R)-1-[4-(Methylsulfonyl)phenyl]-1,2,3-propanetriol | C10H14O5S

(1R,2R)-1-[4-(Methylsulfonyl)phenyl]-1,2,3-propanetriol

  • Molecular FormulaC10H14O5S
  • Average mass246.280 Da
  • Monoisotopic mass246.056198 Da
  • ChemSpider ID26635861

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-[4-(Methylsulfonyl)phenyl]-1,2,3-propanetriol [ACD/IUPAC Name]
(1R,2R)-1-[4-(Méthylsulfonyl)phényl]-1,2,3-propanetriol [French] [ACD/IUPAC Name]
(1R,2R)-1-[4-(Methylsulfonyl)phenyl]-1,2,3-propantriol [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-[4-(methylsulfonyl)phenyl]-, (1R,2R)- [ACD/Index Name]
1335232-88-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 58.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.75
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.75
Polar Surface Area: 103 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 174.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement