ChemSpider 2D Image | (3R,5S)-3-[(2S)-3-Chloro-2-hydroxypropyl]-5-methyl-3-(phenylsulfanyl)dihydro-2(3H)-furanone | C14H17ClO3S

(3R,5S)-3-[(2S)-3-Chloro-2-hydroxypropyl]-5-methyl-3-(phenylsulfanyl)dihydro-2(3H)-furanone

  • Molecular FormulaC14H17ClO3S
  • Average mass300.801 Da
  • Monoisotopic mass300.058685 Da
  • ChemSpider ID21199717

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5S)-3-[(2S)-3-Chlor-2-hydroxypropyl]-5-methyl-3-(phenylsulfanyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,5S)-3-[(2S)-3-Chloro-2-hydroxypropyl]-5-methyl-3-(phenylsulfanyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,5S)-3-[(2S)-3-Chloro-2-hydroxypropyl]-5-méthyl-3-(phénylsulfanyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±25.9 °C
Index of Refraction: 1.592
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.09
ACD/KOC (pH 5.5): 407.40
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.09
ACD/KOC (pH 7.4): 407.40
Polar Surface Area: 72 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 230.5±5.0 cm3

Click to predict properties on the Chemicalize site


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